SCHEMBL30786379

SCHEMBL30786379

NC(=O)C1(C(=O)NC2=CC2)CC1c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
P2RX7 Q99572 1/20 0.35
KCNN4 O15554 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
PARP1 P09874 1/20 0.34
TP53 P04637 1/20 0.34
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP10 Q53GL7 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28520614 0.84 KDM1A (0.50) KDM1ARCOR1KCNN4PARP1PARP10
SCHEMBL4134001 0.80 KDM1A (0.47) KDM1ARCOR1KCNN4SIGMAR1PARP1
SCHEMBL5675827 0.79 OPRK1 (0.47) KDM1ARCOR1OPRK1ATML3MBTL1
SCHEMBL29693439 0.75 KDM1A (0.43) KDM1ARCOR1NPC1ALDH1A1
SCHEMBL27778068 0.74 MAOB (0.40) KDM1ANPC1ALDH1A1SLC6A2
SCHEMBL25196165 0.73 MEN1 (0.46) KDM1ASIGMAR1NPC1ALDH1A1SLC6A2
SCHEMBL28524795 0.68 KDM1A (0.51) KDM1ARCOR1PARP1
SCHEMBL28827873 0.68 ALDH1A1 (0.43) P2RX7SIGMAR1ALDH1A1
SCHEMBL28526078 0.67 KDM1A (0.50) KDM1ARCOR1PARP1TP53
SCHEMBL29453536 0.67 KDM1A (0.41) KDM1ARCOR1P2RX7OPRK1OPRM1

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-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 CN disclosed