SCHEMBL24286095

SCHEMBL24286095

CC[S+]([O-])c1ccc(C2CC2)nc1-c1nc2cc(Br)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL24286321 0.83 CYP11B1 (0.31) ALOX5APCYP11B1CYP11B2
SCHEMBL20635912 0.81 NPC1 (0.34) CYP11B1CYP11B2
SCHEMBL17941383 0.80 CYP11B1 (0.31) ALOX5APCYP11B1CYP11B2
SCHEMBL29679728 0.80 CYP11B1 (0.31) ALOX5APCYP11B1CYP11B2
SCHEMBL29679431 0.79 CNR2 (0.34) ALOX5APCYP11B1CYP11B2
SCHEMBL17941363 0.79 CNR2 (0.34) ALOX5APCYP11B1CYP11B2
SCHEMBL20628411 0.74 POLB (0.32) —
SCHEMBL17949440 0.73 DRD2 (0.31) —
SCHEMBL24286075 0.69 MEN1 (0.32) CYP11B1CYP11B2
SCHEMBL24286076 0.69 TP53 (0.33) —

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-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 — — EP disclosed
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