SCHEMBL25832379

SCHEMBL25832379

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.66
▸ SMARCA4 P51532 8/20 0.66
▸ KDR P35968 3/20 0.47
▸ CNR1 P21554 2/20 0.46
▸ S1PR2 O95136 1/20 0.45
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL25301796 0.88 SMARCA2 (0.69) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL31140004 0.88 SMARCA2 (0.69) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL9599834 0.86 SMARCA2 (0.86) SMARCA2SMARCA4CNR1S1PR2MEN1
SCHEMBL119685 0.81 SMARCA2 (0.79) SMARCA2SMARCA4KDRCNR1MEN1
SCHEMBL25300737 0.81 SMARCA2 (0.65) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL31139994 0.81 SMARCA2 (0.65) SMARCA2SMARCA4KDRCNR1S1PR2
SCHEMBL22125200 0.80 SMARCA2 (1.00) SMARCA2SMARCA4MEN1KMT2ALMNA
SCHEMBL22125520 0.80 SMARCA2 (0.76) SMARCA2SMARCA4CNR1S1PR2MEN1
SCHEMBL11047103 0.78 SMARCA2 (0.79) SMARCA2SMARCA4KDRCNR1MEN1
SCHEMBL27968802 0.78 SMARCA2 (0.72) SMARCA2SMARCA4CNR1MEN1KMT2A

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-2023133260-A2 CHEMICAL TARGETING SWI/SNF RELATED, MATRIX ASSOCIATED, ACTIN DEPENDENT REGULATOR OF CHROMATIN, SUBFAMILY A, MEMBER 4 (SMARCA4) AND USE IN DIFFUSE INTRINSIC PONTINE GLIOMA (DIPG) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-13 — — WO disclosed
Send feedback