SCHEMBL25397458

SCHEMBL25397458

CC(=O)Oc1cc(-c2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 3/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
MDM2 Q00987 3/20 0.48
MCL1 Q07820 3/20 0.48
BCL2 P10415 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
PTGS1 P23219 1/20 0.47
MALT1 Q9UDY8 2/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL28771096 0.91 MEN1 (0.55) RPA1NPC1RAB9AMDM2MCL1
SCHEMBL859280 0.88 RPA1 (0.60) RPA1NPC1RAB9AALDH1A1HPGD
SCHEMBL29074662 0.87 BACE1 (0.52) RPA1PTGS1
SCHEMBL25397464 0.86 RPA1 (0.55) RPA1NPC1RAB9AALDH1A1HPGD
SCHEMBL28190691 0.84 KMT2A (0.62) RPA1NPC1RAB9AALDH1A1HPGD
SCHEMBL27629217 0.83 FABP3 (0.51) ALDH1A1CACNA1GCACNA1HFABP3FABP4
SCHEMBL27517063 0.82 MAPT (0.43) RPA1NPC1ALDH1A1
SCHEMBL11431929 0.79 HTT (0.61) RPA1NPC1RAB9AALDH1A1MDM2
SCHEMBL7156590 0.79 MALT1 (0.58) RPA1MEN1KMT2AL3MBTL1MALT1
SCHEMBL28191259 0.79 MAPT (0.55) RPA1NPC1RAB9AALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240723-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 EP claimed
EP-4240723-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 EP disclosed