SCHEMBL31058637

SCHEMBL31058637

CC(C)(Cc1ccc(N)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
FDPS P14324 1/20 0.39
MAOB P27338 4/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOA P21397 2/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38

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
SCHEMBL18482012 0.82 IDO1 (0.41) TDP1TSHRSLC6A2HTR2ASLC6A4
SCHEMBL23395239 0.81 IDO1 (0.42) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL18471306 0.80 TSHR (0.41) ALDH1A1TSHRESR1MAPT
SCHEMBL24297509 0.77 NR3C1 (0.37) ALDH1A1TSHRKDM4EESR1TAAR1
SCHEMBL16174762 0.76 ALDH1A1 (0.48) ALDH1A1TDP1GFERCYP3A4TSHR
SCHEMBL10570 0.75 ALDH1A1 (0.52) ALDH1A1TDP1GFERCYP3A4TSHR
SCHEMBL861221 0.75 ESR1 (0.61) ALDH1A1TDP1GFERCYP3A4TSHR
SCHEMBL22591635 0.75 ALDH1A1 (0.52) ALDH1A1TDP1GFERCYP3A4TSHR
SCHEMBL25173338 0.75 LPL (0.50) TSHRCA1CA2ESR1
SCHEMBL25767671 0.74 CNR2 (0.41) ESR1KIF11

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-4635942-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Carephar Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2024152743-A1 QUINOLINE DERIVATIVE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏柯菲平医药股份有限公司 2024-07-25 WO disclosed