SCHEMBL2003312

SCHEMBL2003312

CCCC1C=CC=CN1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SHMT2 P34897 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRM2 Q14416 5/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL27991314 0.78 SLC6A2 (0.33) SMN1; SMN2
SCHEMBL11041884 0.76 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL27540147 0.73 MAOA (0.35) MAPK1
SCHEMBL9276290 0.73 POLB (0.32)
Bromide SCHEMBL27702376 0.72 MAOA (0.34)
SCHEMBL27992891 0.69 POLB (0.32)
SCHEMBL27893678 0.69 POLB (0.32)
SCHEMBL27992903 0.69 KDM4E (0.31) ALDH1A1MAPT
SCHEMBL27921492 0.69
SCHEMBL27858737 0.68 RECQL (0.32) SMN1; SMN2NPSR1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964110-B2 Cure system for halogenated elastomer compositions, a curable halogenated elastomer composition, and a method for curing halogenated elastomer compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2011-06-21 US disclosed
US-7678847-B2 Encapsulated structural adhesive APPLETON PAPERS INC. (US) 2010-03-16 US disclosed
US-20090326143-A1 CURE SYSTEM FOR HALOGENATED ELASTOMER COMPOSITIONS, A CURABLE HALOGENATED ELASTOMER COMPOSITION, AND A METHOD FOR CURING HALOGENATED ELASTOMER COMPOSITIONS DOW GLOBAL TECHNOLOGIES LLC 2009-12-31 US disclosed
US-20070021533-A1 Encapsulated structural adhesive APPLETON PAPERS INC. (US) 2007-01-25 US disclosed