SCHEMBL21653073

SCHEMBL21653073

CCn1cc(NC(=O)c2cnc(Cl)[nH]2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAP3K5 Q99683 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ XDH P47989 1/20 0.36

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
SCHEMBL21653182 0.80 KMT2A (0.52) RAB9ANPC1KDM4EMAPTCA9
SCHEMBL21653053 0.80 DAO (0.45) RAB9AALDH1A1KDM4ECYP3A4CYP2C9
SCHEMBL21653119 0.80 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21652971 0.77 MEN1 (0.41) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21653229 0.77 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21653105 0.77 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21653177 0.76 MAPT (0.46) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21652861 0.76 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4ECYP3A4
SCHEMBL21653116 0.74 LMNA (0.54) RAB9ANPC1ALDH1A1CYP2C19MAPT
SCHEMBL21653203 0.72 SMN1; SMN2 (0.46) RAB9AALDH1A1KDM4ECYP3A4CYP2C9

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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