SCHEMBL5352445

SCHEMBL5352445

CS(=O)(=O)c1ccnc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ITK Q08881 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL31138255 0.83 LMNA (0.63) LMNAPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL27492088 0.82 NPC1 (0.42) L3MBTL1POLBITKMAPTALDH1A1
SCHEMBL28545192 0.81 ATM (0.39) L3MBTL1LMNAPOLBCYP1A2CYP3A4
SCHEMBL5700203 0.73 PLAU (0.41) CYP1A2CYP3A4CYP2C9CYP2C19PTGS2
SCHEMBL18002784 0.71 CYP1A2 (0.39) L3MBTL1POLBCYP1A2CYP3A4CYP2C9
SCHEMBL9120149 0.71 MAPK8 (0.44) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5426681 0.71 COMT (0.43) L3MBTL1LMNAPOLBNPSR1ITK
SCHEMBL832407 0.71 L3MBTL1 (0.50) L3MBTL1LMNAPOLBCYP1A2CYP2C9
SCHEMBL3599059 0.71 LOX (0.35) LMNAPOLBALOX15
SCHEMBL32526767 0.71 L3MBTL1 (0.50) L3MBTL1LMNAPOLBCYP1A2CYP2C9

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-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 — — WO disclosed
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