SCHEMBL11540452

SCHEMBL11540452

CCC(C)n1nc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
POLB P06746 1/20 0.56
P2RY6 Q15077 1/20 0.47
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL17279862 0.94 MAPT (0.50) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL17853362 0.83 MAPT (0.58) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL11540184 0.83 P2RY6 (0.62) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL2458758 0.79 MAPT (0.61) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL17279863 0.77 P2RY6 (0.56) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL2766550 0.73 MAPT (0.55) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL8445837 0.73 SMN1; SMN2 (0.51) MAPTPOLBALDH1A1KDM4EHPGD
SCHEMBL11539783 0.72 NR1H2 (0.48) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL11621487 0.72 MAPT (0.57) MAPTPOLBP2RY6ALDH1A1KDM4E
SCHEMBL17279999 0.71 SMN1; SMN2 (0.50) MAPTPOLBALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4170464-A SYNERGISTIC 1,2-DIALKYL-3,5-DIPHENYL PYRAZOLIUM SALT AND A PHENOXYACETIC ACID AMERICAN CYANAMID COMPANY (US) 1979-10-09 US disclosed
US-4162913-A HERBICIDE, CONTROLLING WILD OATS AMERICAN CYANAMID CO. (US) 1979-07-31 US disclosed