SCHEMBL21739719

SCHEMBL21739719

Cc1cccc2c1NC(C(=O)N1CCCC(NC(=O)CCN)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.41
NSD2 O96028 1/20 0.41
SETD2 Q9BYW2 1/20 0.41
KDM5A P29375 2/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL22053077 0.86 GFER (0.36) GFERALDH1A1KMT2ARAB9A
SCHEMBL21739728 0.85 HRH4 (0.43) GFERALDH1A1KMT2ARAB9A
SCHEMBL21740173 0.83 GAA (0.38) GFERALDH1A1KMT2A
SCHEMBL21740228 0.81 PIM1 (0.37) GFERALDH1A1MEN1KMT2A
SCHEMBL21740347 0.81 SMYD3 (0.50) SMYD3NSD2SETD2
SCHEMBL21739140 0.79 SMYD3 (0.46) SMYD3NSD2SETD2
SCHEMBL21739129 0.79 SMYD3 (0.43) SMYD3NSD2SETD2
SCHEMBL21739138 0.79 SMYD3 (0.43) SMYD3NSD2SETD2
SCHEMBL21739718 0.78 JAK1 (0.35) GFERALDH1A1MEN1KMT2A
SCHEMBL21740142 0.77 SIGMAR1 (0.40) SMYD3KDM5AKMT2A

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
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed