SCHEMBL24286103

SCHEMBL24286103

CCSc1ccc(-c2cc(F)cc(F)c2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL24286744 0.93 MAP4K4 (0.36) ALDH1A1MEN1USP2CYP1A2KMT2A
SCHEMBL19725901 0.90 SDHB (0.35) ALDH1A1MEN1KMT2ALMNA
SCHEMBL17949561 0.90 L3MBTL1 (0.33) MEN1KMT2AL3MBTL1LMNA
SCHEMBL19731192 0.89 LMNA (0.37) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL31534715 0.88 DDR1 (0.31) DDR1ALDH1A1
SCHEMBL17967734 0.88 DDR1 (0.31) DDR1ALDH1A1
SCHEMBL24044957 0.87 BCHE (0.33) —
SCHEMBL24286237 0.86 GRM5 (0.31) —
SCHEMBL17949566 0.85 CYP11B1 (0.32) —
SCHEMBL20468523 0.85 DGAT1 (0.31) ALDH1A1

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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