SCHEMBL21653102

SCHEMBL21653102

O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)c1ccc(Br)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ BRD3 Q15059 1/20 0.48
▸ BRDT Q58F21 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ KMT2A Q03164 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44

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
SCHEMBL21653071 0.83 KMT2A (0.49) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL1199911 0.75 NPC1 (0.63) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL21653230 0.71 ALDH1A1 (0.49) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL13907631 0.70 RAB9A (0.57) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4022371 0.70 LMNA (0.59) MAPTPOLBKMT2ASMN1; SMN2RAB9A
SCHEMBL24669279 0.69 KMT2A (0.61) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL24573395 0.69 NPC1 (0.56) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4927332 0.69 HPGD (0.65) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL21652970 0.68 NPC1 (0.41) MAPTALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL21653238 0.68 SMN1; SMN2 (0.38) MAPTALDH1A1POLBKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 — — WO disclosed
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