SCHEMBL3785591

SCHEMBL3785591

COc1cc2c(cc1OC)CN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)CC2

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.51
KMT2A Q03164 3/20 0.49
NMT1 P30419 1/20 0.47
GRM5 P41594 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
CHRNA7 P36544 1/20 0.46
CHRNA10 Q9GZZ6 1/20 0.46
CHRNA9 Q9UGM1 1/20 0.46

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
SCHEMBL3787443 0.87 KMT2A (0.48) MAP3K5KMT2ANMT1MEN1CHRNA7
SCHEMBL3782560 0.87 KMT2A (0.55) KMT2AGRM5CHRNA7CHRNA10CHRNA9
SCHEMBL3788318 0.85 NMT1 (0.49) MAP3K5KMT2ANMT1
SCHEMBL3791335 0.84 NMT1 (0.48) MAP3K5KMT2ANMT1MEN1
SCHEMBL2963925 0.82 HDAC6 (0.54) KMT2ANMT1MEN1POLB
SCHEMBL3790274 0.82 RAB9A (0.48) KMT2ANMT1MEN1
SCHEMBL2972419 0.80 NMT1 (0.54) KMT2ANMT1MEN1POLB
SCHEMBL3788680 0.79 KMT2A (0.60) KMT2ACHRNA7CHRNA10CHRNA9
SCHEMBL2969659 0.79 KMT2A (0.53) KMT2ANMT1MEN1POLB
SCHEMBL3789573 0.78 KMT2A (0.61) KMT2AGRM5CHRNA7CHRNA10CHRNA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO claimed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed