SCHEMBL21910771

SCHEMBL21910771

COc1ccc(N(C)[S+]([O-])c2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 17/20 0.72
▸ NPC1 O15118 4/20 0.72
▸ RAB9A P51151 4/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL21376822 0.94 SCD (0.62) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL13490124 0.85 SCD (0.82) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL31243 0.85 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21910767 0.82 SCD (0.58) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL663943 0.82 SCD (0.73) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2753553 0.81 SCD (0.93) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21376926 0.81 SCD (0.74) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2484653 0.80 SCD (0.81) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16562121 0.80 SCD (0.89) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554145 0.79 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A

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-3626240-A1 PROCESS OF PREPARATION OF A N-ARYL BENZYL SULFONAMIDE SUBSTITUTED WITH AN AMIDO GROUP StemSynergy Therapeutics, Inc. (US) 2020-03-25 — — EP disclosed
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