SCHEMBL24286744

SCHEMBL24286744

CCSc1ccc(-c2cccc(F)c2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL24286103 0.93 DDR1 (0.31) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL19725901 0.87 SDHB (0.35) ALDH1A1KDM4EMEN1KMT2ACYP11B1
SCHEMBL17949561 0.86 L3MBTL1 (0.33) L3MBTL1MEN1KMT2APTGS2LMNA
SCHEMBL19731192 0.85 LMNA (0.37) ALDH1A1KDM4EMAPTHPGDL3MBTL1
SCHEMBL17967734 0.85 DDR1 (0.31) ALDH1A1
SCHEMBL31534715 0.85 DDR1 (0.31) ALDH1A1
SCHEMBL24286251 0.84 GRM5 (0.36) —
SCHEMBL19725904 0.84 PTGS2 (0.39) MAP4K4ALDH1A1KDM4EMAPTHPGD
SCHEMBL24044957 0.84 BCHE (0.33) PTGS2
SCHEMBL24286745 0.83 PTGS2 (0.35) MAP4K4ALDH1A1KDM4EMAPTHPGD

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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