SCHEMBL6889395

SCHEMBL6889395

NCC(CN)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
IDO1 P14902 4/20 0.52
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 3/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CYP1A2 P05177 2/20 0.43
KCNJ1 P48048 2/20 0.43
KCNH2 Q12809 2/20 0.43
CYP2C9 P11712 1/20 0.43
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9476171 0.98 LOXL2 (0.60) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL762549 0.85 LOXL2 (0.50) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL514488 0.83 LOXL2 (0.60) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL5148823 0.83 LOXL2 (0.60) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL28541344 0.83 LOXL2 (0.47) LOXL2IDO1TSHRLMNACA12
SCHEMBL19938078 0.81 LOXL2 (0.58) LOXL2IDO1TSHRALDH1A1CYP2C19
Hydrochloric Acid SCHEMBL9355954 0.81 LOXL2 (0.58) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL2240772 0.81 TSHR (0.58) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL2240896 0.81 LOXL2 (0.52) LOXL2IDO1TSHRALDH1A1CYP2C19
SCHEMBL18071831 0.81 LOXL2 (0.52) LOXL2IDO1TSHRALDH1A1CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699079-B1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES COMPRISING GENETIC MATERIALS DOW CHEMICAL CO (US) 2004-09-29 EP disclosed
US-6312679-B1 Dense star polymer conjugates as dyes THE DOW CHEMICAL COMPANY 2001-11-06 US disclosed
US-6177414-B1 POLYMAMINOAMIDE DENDRIMER STAR POLYMER CARRYING SALICYLIC ACID MOIETIES; DRUG DELIVERY THE DOW CHEMICAL COMPANY 2001-01-23 US disclosed
US-5714166-A Bioactive and/or targeted dendrimer conjugates THE DOW CHEMICAL COMPANY (US) 1998-02-03 US disclosed
EP-0271180-B2 Starburst conjugates DOW CHEMICAL CO (US) 1997-06-18 EP disclosed
US-5527524-A AGRICULTURAL, PHARMACEUTICAL, DRUG DELIVERY THE DOW CHEMICAL COMPANY (US) 1996-06-18 US disclosed
EP-0699079-A1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES THE DOW CHEMICAL COMPANY (US) 1996-03-06 EP disclosed
WO-1995024221-A1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES THE DOW CHEMICAL COMPANY (US) 1995-09-14 WO disclosed
US-5338532-A Star polymer as carrier for drugs, agricultural compounds THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
EP-0417870-B1 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy DIAGNOSTIKFORSCHUNG INST (DE) 1994-07-20 EP disclosed
US-5302370-A Form complexes with rhenium and technetium INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 1994-04-12 US disclosed
US-5220000-A Bifunctional-bis-quinolinols, and their metal chelates THEODOROPULOS SPYROS (US) 1993-06-15 US disclosed
EP-0502594-A1 Chelates, their metal complexes as well as their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1992-09-09 EP disclosed
EP-0417870-A2 Chelates for complexation of radioactive isotopes, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1991-03-20 EP disclosed
EP-0271180-A1 Starburst conjugates THE DOW CHEMICAL COMPANY (US) 1988-06-15 EP disclosed
WO-1988001178-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed
WO-1988001179-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed
WO-1988001180-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed