SCHEMBL29959258

SCHEMBL29959258

Oc1ccn(-c2ccccc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA1 P30542 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MGLL Q99685 1/20 0.37
CACNA2D1 P54289 1/20 0.36
GRM4 Q14833 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL15352278 1.00 NOTUM (0.44) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30354364 0.82 HCAR1 (0.37) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29572416 0.77 MEN1 (0.49) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30264219 0.77 NOTUM (0.44) NOTUMMEN1KMT2AMGLLADORA3
SCHEMBL15352787 0.77 NOTUM (0.44) NOTUMMEN1KMT2AMGLLADORA3
SCHEMBL30264222 0.77 ALDH1A1 (0.43) MEN1KMT2AMGLLCACNA2D1ADORA3
SCHEMBL13078703 0.77 MAPT (0.52) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL403403 0.77 MEN1 (0.49) NOTUMCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15352629 0.77 MGLL (0.37) MGLLALDH1A1RAB9AMAPTKDM4E
SCHEMBL15352617 0.77 ALDH1A1 (0.43) MEN1KMT2AMGLLCACNA2D1ADORA3

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-4075979-A1 1,5-DIPHENYLPYRAZOLYL-3-OXYALKYL ACIDS AND 1-PHENYL-5-THIENYLPYRAZOLYL-3-OXYALKYL ACIDS AND THE USE THEREOF FOR CONTROL OF UNDESIRED PLANT GROWTH Bayer Aktiengesellschaft (DE) 2022-10-26 EP disclosed
CN-115135152-A 1, 5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and their use for controlling undesired vegetation 拜耳公司 2022-09-30 CN disclosed