SCHEMBL316443

SCHEMBL316443

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC1CCC(Cc2cccc(F)c2)(N(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL316534 0.97 KMT2A (0.58) GHSRKMT2AMEN1POLBATM
SCHEMBL316068 0.93 KMT2A (0.60) GHSRKMT2AMEN1ALDH1A1MAPT
SCHEMBL315886 0.92 GHSR (0.60) GHSRKMT2AMEN1POLBATM
SCHEMBL314979 0.91 GHSR (0.62) GHSRKMT2AMEN1POLBALDH1A1
SCHEMBL316457 0.90 GHSR (0.54) GHSRKMT2AMEN1POLBATM
SCHEMBL316299 0.89 KMT2A (0.57) GHSRKMT2AMEN1POLBATM
SCHEMBL316345 0.88 KMT2A (0.61) GHSRKMT2AMEN1POLBATM
SCHEMBL315422 0.88 GHSR (0.61) GHSRKMT2APOLBALDH1A1MAPT
SCHEMBL316492 0.88 GHSR (0.61) GHSRKMT2APOLBALDH1A1MAPT
SCHEMBL315817 0.87 GHSR (0.56) GHSRKMT2AMEN1POLBATM

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-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US claimed
US-8093272-B2 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2012-01-10 US disclosed