SCHEMBL31036767

SCHEMBL31036767

Cc1nn(C)c(=O)c(-c2c(F)ccc(Cl)c2CCc2cn(C)c3ccccc23)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
KMT2A Q03164 3/20 0.37
CMA1 P23946 3/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GPR84 Q9NQS5 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CCKBR P32239 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
SCHEMBL29263844 1.00 HTR2A (0.39) HTR2ARXFP1KMT2ACMA1MAPT
SCHEMBL25180332 0.85 HSD17B13 (0.41) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL30389043 0.85 HSD17B13 (0.41) KMT2AMAPTLMNAALDH1A1KDM4E
SCHEMBL22031792 0.83 CASR (0.40) KMT2AMAPTLMNATP53
SCHEMBL22085490 0.81 MAPT (0.38) KMT2AMAPTLMNA
SCHEMBL28800372 0.81 LMNA (0.35) KMT2AMAPTLMNAALDH1A1
SCHEMBL22084636 0.80 LMNA (0.36) KMT2AMAPTLMNATP53
SCHEMBL22906297 0.79 LMNA (0.40) KMT2AMAPTLMNA
SCHEMBL22031854 0.79 CYP1A2 (0.38) MAPTLMNATP53
SCHEMBL22085782 0.78 MAPT (0.37) KMT2AMAPTLMNA

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
CN-118265781-A Herbicide resistance 先正达农作物保护股份公司 2024-06-28 CN disclosed