SCHEMBL15834735

SCHEMBL15834735

c1cc(NC2COC2)nc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.49
▸ MAPK8 P45983 1/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ CTSK P43235 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ROCK2 O75116 2/20 0.38

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
SCHEMBL19957592 0.96 ACHE (0.47) ACHEMAPK8CDC7MEN1USP2
SCHEMBL13779897 0.79 HRH4 (0.53) ACHEMAPK8CDC7
SCHEMBL15830164 0.76 ALDH1A1 (0.52) ALDH1A1KMT2A
SCHEMBL4039837 0.75 ACHE (0.56) ACHEMAPK8CDC7CCNT1CCNA2
SCHEMBL17303793 0.74 ALDH1A1 (0.54) ALDH1A1KMT2AHSD17B10
SCHEMBL10274926 0.73 ACHE (0.57) ACHEMAPK8CDC7CCNT1CCNA2
SCHEMBL15834171 0.73 CCNT1 (0.45) CCNT1CDK9MEN1ALDH1A1KMT2A
SCHEMBL17300743 0.73 CHRM3 (0.39) MEN1ALDH1A1TP53CYP1A2CYP2D6
SCHEMBL28617770 0.72 MALT1 (0.41) CTSKCCNT1CDK9MEN1USP2
SCHEMBL23304360 0.72 GAA (0.40) MAPK8CDC7CDK2MEN1ALDH1A1

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-2014100734-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
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