SCHEMBL28093133

SCHEMBL28093133

COC(=O)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SYK P43405 1/20 0.45
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNQ4 P56696 1/20 0.44
KCNQ5 Q9NR82 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
PPARD Q03181 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42

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
SCHEMBL2949235 0.85 DAO (0.45) KCNQ3KCNQ2KCNQ4KCNQ5CYP3A4
SCHEMBL17634090 0.85 PPARD (0.43) LMNAKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3587496 0.85 KCNQ3 (0.50) LMNAALDH1A1NPC1RAB9ASYK
SCHEMBL3963929 0.82 TRPV4 (0.44) KCNQ3KCNQ2KCNQ4KCNQ5CYP3A4
SCHEMBL263863 0.80 GABRP (0.56) SMN1; SMN2PPARDPLAAT3PLAAT5PLAAT2
SCHEMBL30025563 0.80 GABRP (0.56) SMN1; SMN2PPARDPLAAT3PLAAT5PLAAT2
SCHEMBL2310832 0.79 MAOB (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MRGPRX4
SCHEMBL20425110 0.79 RAB9A (0.51) LMNAALDH1A1NPC1RAB9ACYP4F2
SCHEMBL30394818 0.79 MAOB (0.46) KCNQ3KCNQ2KCNQ4KCNQ5MRGPRX4
SCHEMBL24973127 0.78 CYP2C9 (0.43) KCNQ3KCNQ2KCNQ4KCNQ5CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829294-B The quinolyl conditioning agent of ROR- γ-T being connect with methylene 詹森药业有限公司 2018-11-09 CN disclosed
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN disclosed
CN-105829294-A METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 詹森药业有限公司 2016-08-03 CN disclosed