SCHEMBL24286107

SCHEMBL24286107

CCSc1ccc(-n2cncn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL24045230 0.86 PDE10A (0.35) —
SCHEMBL24285897 0.85 PDE10A (0.36) —
SCHEMBL20465939 0.85 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1GLAHPGDKDM4E
SCHEMBL20465940 0.83 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1GLAHPGDKDM4E
SCHEMBL17949562 0.83 SMN1; SMN2 (0.32) ALOX5APSMN1; SMN2ALDH1A1GLAHPGD
SCHEMBL18866413 0.83 POLB (0.42) SMN1; SMN2
SCHEMBL24286101 0.82 ALOX5AP (0.30) ALOX5AP
SCHEMBL17967734 0.82 DDR1 (0.31) ALDH1A1
SCHEMBL31534715 0.82 DDR1 (0.31) ALDH1A1
SCHEMBL20468293 0.81 ALDH1A1 (0.31) SMN1; SMN2ALDH1A1GLAHPGDKDM4E

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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