SCHEMBL5888153

SCHEMBL5888153

CC(NC(=O)CCc1ccccc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ CTSK P43235 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ KCNA5 P22460 1/20 0.48
▸ CTSA P10619 1/20 0.47
▸ ENPP2 Q13822 2/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5888147 1.00 PRCP (0.54) PRCPSMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL5218642 0.94 ALDH1A1 (0.54) PRCPSMN1; SMN2LMNARAB9ACTSL
SCHEMBL5888633 0.94 ALDH1A1 (0.54) PRCPSMN1; SMN2LMNARAB9ACTSL
SCHEMBL30795674 0.94 ALDH1A1 (0.54) PRCPSMN1; SMN2LMNARAB9ACTSL
SCHEMBL5888420 0.93 ALDH1A1 (0.50) PRCPSMN1; SMN2LMNARAB9ACTSL
SCHEMBL5888528 0.89 KMT2A (0.56) PRCPCYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL5888533 0.89 KMT2A (0.56) PRCPCYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL5888640 0.84 LMNA (0.47) PRCPSMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL5888892 0.84 PRCP (0.52) PRCPSMN1; SMN2LMNARAB9AKMT2A
SCHEMBL5888887 0.84 PRCP (0.52) PRCPSMN1; SMN2LMNARAB9AKMT2A

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
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
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