SCHEMBL16735666

SCHEMBL16735666

O=C(c1cc2ncccc2cc1O)N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KDM5A P29375 1/20 0.53
▸ KDM4C Q9H3R0 1/20 0.53
▸ KDM5B Q9UGL1 1/20 0.53
▸ GPBAR1 Q8TDU6 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PDK1 Q15118 4/20 0.52
▸ PDK2 Q15119 4/20 0.52
▸ PDK3 Q15120 4/20 0.52
▸ PDK4 Q16654 4/20 0.52
▸ AVPR2 P30518 1/20 0.50
▸ OXTR P30559 1/20 0.50
▸ AVPR1A P37288 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL16735643 0.93 LMNA (0.53) LMNAKDM4CPOLBPDK1PDK2
SCHEMBL16735601 0.87 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL16735572 0.87 PDK1 (0.51) LMNARECQLKDM5AKDM4CKDM5B
SCHEMBL16735668 0.87 PDK1 (0.51) LMNARECQLGPBAR1PDK1PDK2
SCHEMBL16735684 0.85 GPBAR1 (0.51) LMNARECQLKDM5AKDM4CKDM5B
SCHEMBL16735673 0.83 PDK1 (0.49) LMNAGPBAR1POLBHSD17B10PDK1
SCHEMBL16735623 0.83 SCD5 (0.44) LMNARECQLKDM5AKDM4CKDM5B
SCHEMBL16735561 0.83 PDK1 (0.48) LMNARECQLKDM5AKDM4CKDM5B
SCHEMBL16735633 0.83 PDK1 (0.41) LMNARECQLKDM5AKDM4CKDM5B
SCHEMBL16735598 0.81 PDK1 (0.43) GPBAR1POLBPDK1PDK2PDK3

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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