SCHEMBL31139994

SCHEMBL31139994

COC(=O)c1cc(NC(=O)Nc2ccnc(Cl)c2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.65
▸ SMARCA4 P51532 8/20 0.65
▸ AR P10275 1/20 0.53
▸ MALT1 Q9UDY8 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ CNR1 P21554 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ S1PR2 O95136 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL25300737 1.00 SMARCA2 (0.65) SMARCA2SMARCA4ARMALT1ALDH1A1
SCHEMBL9599834 0.84 SMARCA2 (0.86) SMARCA2SMARCA4MALT1ALDH1A1CNR1
SCHEMBL11380322 0.84 KDR (0.57) ARALDH1A1CNR1MEN1KMT2A
SCHEMBL31140004 0.84 SMARCA2 (0.69) SMARCA2SMARCA4ALDH1A1CNR1MEN1
SCHEMBL25301796 0.84 SMARCA2 (0.69) SMARCA2SMARCA4ALDH1A1CNR1MEN1
SCHEMBL22125487 0.81 SMARCA2 (0.67) SMARCA2SMARCA4MALT1ALDH1A1CNR1
SCHEMBL25832379 0.81 SMARCA2 (0.66) SMARCA2SMARCA4MALT1CNR1MEN1
SCHEMBL17804195 0.80 SMARCA2 (0.64) SMARCA2SMARCA4ARMALT1SMN1; SMN2
SCHEMBL29556246 0.80 SMARCA2 (0.60) SMARCA2SMARCA4MALT1ALDH1A1CNR1
SCHEMBL22125195 0.79 SMARCA2 (1.00) SMARCA2SMARCA4MALT1CNR1MEN1

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
CN-118695863-A Targeting SWI/SNF-related matrix-associated actin-dependent chromatin regulatory factor subfamily A member 4 (SMARCA 4) 丹娜-法伯癌症研究院 2024-09-24 — — CN disclosed
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