SCHEMBL31566435

SCHEMBL31566435

COCOc1ccc(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
HTR2C P28335 6/20 0.36
HTR2B P41595 6/20 0.36
HTR2A P28223 4/20 0.36
KDM1A O60341 2/20 0.34
KCNN4 O15554 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FGFR2 P21802 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TUBB1 Q9H4B7 1/20 0.31

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
SCHEMBL17527871 0.85 L3MBTL1 (0.40) KDM1AFGFR2L3MBTL1TDP1ALDH1A1
SCHEMBL18797466 0.82 HTR2C (0.33) HTR2CHTR2BHTR2AKDM1AKCNN4
SCHEMBL22208982 0.82 CLCN2 (0.39) HTR2CHTR2BHTR2AKDM1AKCNN4
SCHEMBL20608004 0.82 L3MBTL1 (0.42) FFAR1KCNN4L3MBTL1TDP1
SCHEMBL17528451 0.82 PTPN1 (0.36) KCNN4MRGPRX4TUBB1
SCHEMBL29381303 0.82 L3MBTL1 (0.42) FFAR1KCNN4L3MBTL1TDP1
SCHEMBL24240291 0.80 L3MBTL1 (0.47) FFAR1KDM1AFGFR2L3MBTL1TDP1
SCHEMBL7939109 0.80 MRGPRX4 (0.31) KCNN4MRGPRX4
SCHEMBL8831943 0.80 MRGPRX4 (0.31) KCNN4MRGPRX4
SCHEMBL2851183 0.80 KCNN4 (0.33) HTR2CHTR2BHTR2AKDM1AKCNN4

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-119841803-A Amide substituted heteroaryl compounds, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-04-18 CN disclosed