SCHEMBL316534

SCHEMBL316534

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
GHSR Q92847 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ATM Q13315 2/20 0.52
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL316443 0.97 GHSR (0.58) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL316457 0.94 GHSR (0.54) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL316299 0.93 KMT2A (0.57) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL316345 0.92 KMT2A (0.61) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL316068 0.91 KMT2A (0.60) KMT2AMEN1GHSRALDH1A1MAPT
SCHEMBL315817 0.90 GHSR (0.56) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL315886 0.88 GHSR (0.60) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL316102 0.88 GHSR (0.56) KMT2AMEN1GHSRPOLBSMN1; SMN2
SCHEMBL314979 0.87 GHSR (0.62) KMT2AMEN1GHSRPOLBALDH1A1
SCHEMBL316040 0.86 GHSR (0.55) KMT2AMEN1GHSRPOLBSMN1; 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 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