SCHEMBL21653188

SCHEMBL21653188

CCn1cc(NC(=O)[C@H]2CC[C@@H](Cl)C2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TYK2 P29597 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL21653189 0.93 RAB9A (0.43) ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL21653191 0.89 NAMPT (0.41) NAMPTALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL21653197 0.85 RAB9A (0.55) NAMPTALDH1A1KDM4ENPSR1LMNA
SCHEMBL21653300 0.84 PTPN1 (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL21652990 0.84 ALDH1A1 (0.40) NAMPTALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL21652982 0.83 ALDH1A1 (0.46) NAMPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL21652992 0.81 ALDH1A1 (0.38) NAMPTALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL21652984 0.78 ALOX15 (0.48) ALDH1A1KDM4ERAB9AHPGDALOX15
SCHEMBL21653202 0.76 CNR2 (0.43) ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL21653203 0.74 SMN1; SMN2 (0.46) ALDH1A1KDM4ENPSR1CYP3A4CYP2C9

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
Send feedback