SCHEMBL316102

SCHEMBL316102

Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCC(Cc2ccccc2F)(N(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL315545 0.98 GHSR (0.59) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL316040 0.95 GHSR (0.55) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL315482 0.92 KMT2A (0.62) GHSRLMNAKMT2AMEN1ALDH1A1
SCHEMBL316299 0.92 KMT2A (0.57) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL316283 0.91 GHSR (0.62) GHSRSMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL315424 0.90 GHSR (0.61) GHSRPOLBLMNAKMT2AALDH1A1
SCHEMBL315817 0.89 GHSR (0.56) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL316345 0.89 KMT2A (0.61) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL316457 0.88 GHSR (0.54) GHSRSMN1; SMN2POLBLMNAKMT2A
SCHEMBL316534 0.88 KMT2A (0.58) GHSRSMN1; SMN2POLBLMNAKMT2A

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