SCHEMBL21376926

SCHEMBL21376926

COc1ccc(N(C)Sc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 18/20 0.74
▸ MEN1 O00255 4/20 0.74
▸ NPC1 O15118 4/20 0.74
▸ RAB9A P51151 4/20 0.74
▸ KMT2A Q03164 4/20 0.74
▸ KDM4E B2RXH2 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ HPGD P15428 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL21376791 0.93 SCD (0.64) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL13490124 0.87 SCD (0.82) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL31243 0.86 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL2753553 0.83 SCD (0.93) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL10064451 0.82 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL12199354 0.82 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL2480611 0.82 SCD (1.00) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21376827 0.82 SCD (0.78) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL21376598 0.82 SCD (0.60) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL663943 0.82 SCD (0.73) SCDMEN1NPC1RAB9AKMT2A

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 2 patents. 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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 — — EP disclosed
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