SCHEMBL1264633

SCHEMBL1264633

Cc1c(C(=O)O)c(C(=O)O)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.62
HTT P42858 2/20 0.61
TSHR P16473 1/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
DHODH Q02127 3/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DYRK1A Q13627 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL10265349 0.84 PDE10A (0.74) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL10467734 0.83 ALDH1A1 (0.63) PDE10ATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL26617556 0.82 PDE10A (0.62) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL30682020 0.81 PDE10A (0.60) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL27855178 0.81 PDE10A (0.60) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL7533563 0.81 PDE10A (0.60) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL29402079 0.80 ALDH1A1 (0.59) PDE10ATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL6783762 0.80 ALDH1A1 (0.59) PDE10ATSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8574197 0.79 HSD17B10 (0.58) PDE10AHTTTSHRALDH1A1SMN1; SMN2
SCHEMBL2908831 0.79 ALDH1A1 (0.62) PDE10AHTTTSHRALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884067-B2 inhibiting tumor metastasis; for determining susceptibility to Alzheimer's disease; drug screening MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2011-02-08 US disclosed
EP-1888817-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
US-20050245453-A1 Peptides derived from cadherin and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 US disclosed
WO-2003087136-A2 PEPTIDES DERIVED FROM CADHERIN AND METHODS OF USE THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2003-10-23 WO disclosed