SCHEMBL4075006

SCHEMBL4075006

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)Nc3ccccc3Cl)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL206738 0.83 TSHR (0.46) KMT2APOLBHTTTP53ALDH1A1
SCHEMBL4048631 0.82 KMT2A (0.51) KMT2APOLBMEN1ALDH1A1NPC1
SCHEMBL4049886 0.80 MAPT (0.45) KMT2APOLBMEN1MAPTNPC1
SCHEMBL208660 0.79 PLAAT3 (0.46) TP53NPC1RAB9A
SCHEMBL205373 0.79 CCR2 (0.47) ALDH1A1
SCHEMBL206456 0.79 POLB (0.45) KMT2APOLBHTTTP53ALDH1A1
SCHEMBL208300 0.78 LMNA (0.50) KMT2APOLBMEN1TP53ALDH1A1
SCHEMBL207975 0.78 HPGD (0.43) KMT2APOLBHTTMEN1ALDH1A1
SCHEMBL5162372 0.78 RAB9A (0.43) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2983415 0.78 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed