SCHEMBL24313980

SCHEMBL24313980

CCS(=O)(=O)c1cc(C(C)C)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ PDE2A O00408 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ RORC P51449 3/20 0.30
▸ CASR P41180 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL29482591 0.90 — —
SCHEMBL24313978 0.90 — —
SCHEMBL17466031 0.88 DDR1 (0.37) PDE2AUSP1RORCCNR2PTGS1
SCHEMBL16064951 0.87 PDE2A (0.40) PDE2A
SCHEMBL17696195 0.83 NR1H2 (0.36) KDM4EALDH1A1PDE2ARORCPTGS1
SCHEMBL29482595 0.82 PDE2A (0.33) ALDH1A1PDE2ARORC
SCHEMBL24314472 0.82 PDE2A (0.33) ALDH1A1PDE2ARORC
SCHEMBL25205049 0.80 DDR1 (0.33) PDE2ACNR2
SCHEMBL30177607 0.80 DDR1 (0.33) PDE2ACNR2
SCHEMBL20633507 0.80 PARG (0.35) CNR2

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-3585770-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-03-23 — — EP disclosed
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