SCHEMBL16735680

SCHEMBL16735680

CC1CCC(C)N1C(=O)c1cc2ncccc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ PDK1 Q15118 11/20 0.41
▸ PDK2 Q15119 11/20 0.41
▸ PDK3 Q15120 11/20 0.41
▸ PDK4 Q16654 11/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 1/20 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
SCHEMBL16735620 0.83 KCNH2 (0.45) POLBHPGDTP53RAB9ARXFP1
SCHEMBL16735667 0.82 POLB (0.51) POLBHPGDTP53RAB9ARXFP1
SCHEMBL16735659 0.81 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL16735670 0.79 MAPT (0.55) POLBHPGDHTTTP53RECQL
SCHEMBL16735647 0.78 POLB (0.49) POLBRAB9ARXFP1ALDH1A1
SCHEMBL16735639 0.78 RXFP1 (0.46) POLBMCL1RXFP1
SCHEMBL16735578 0.77 POLB (0.56) POLBHPGDTP53RXFP1ALDH1A1
SCHEMBL16735553 0.76 GPBAR1 (0.43) POLBPDK1PDK2PDK3PDK4
SCHEMBL16735593 0.76 RXFP1 (0.56) POLBHPGDRXFP1
SCHEMBL16735643 0.76 LMNA (0.53) POLBPDK1PDK2PDK3PDK4

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
EP-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 — — EP claimed
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