SCHEMBL29500522

SCHEMBL29500522

CN(C)C=C(C#N)C(=O)c1cc2ccc(F)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 2/20 0.42
▸ NOD1 Q9Y239 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 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
SCHEMBL20291509 1.00 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL10002618 1.00 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL10002620 1.00 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL10003136 0.92 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL20291515 0.92 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL29500506 0.92 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL10003138 0.92 NOD2 (0.42) NOD2NOD1POLBCYP2C9CYP2C19
SCHEMBL10003527 0.89 ALDH1A1 (0.48) NOD2NOD1ALDH1A1RAB9AL3MBTL1
SCHEMBL10003531 0.89 ALDH1A1 (0.48) NOD2NOD1ALDH1A1RAB9AL3MBTL1
SCHEMBL20291498 0.89 ALDH1A1 (0.48) NOD2NOD1ALDH1A1RAB9AL3MBTL1

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
EP-3339305-B1 INDOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND USE THEREOF IN PHARMACEUTICAL DRUG ZHEJIANG HISUN PHARM CO LTD (CN) 2022-05-04 — — EP disclosed
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