SCHEMBL16735647

SCHEMBL16735647

CC(C)(C)C1CCN(C(=O)c2cc3ncccc3cc2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.45
▸ F11 P03951 2/20 0.41
▸ CTSB P07858 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SPR P35270 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NR2F2 P24468 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL16735593 0.88 RXFP1 (0.56) POLBRXFP1HTR2AHTR2CSPR
SCHEMBL16735667 0.88 POLB (0.51) POLBRXFP1CTSBALDH1A1KDM4E
SCHEMBL16735578 0.84 POLB (0.56) POLBRXFP1LMNAALDH1A1KDM4E
SCHEMBL16735605 0.83 POLB (0.51) POLBRXFP1ALDH1A1SPR
SCHEMBL16735663 0.81 RXFP1 (0.45) POLBRXFP1LMNA
SCHEMBL16735658 0.81 POLB (0.53) POLBLMNAALDH1A1KDM4EMAPT
SCHEMBL16735619 0.80 POLB (0.52) POLBRXFP1KDM4ERAB9AHSP90AA1
SCHEMBL16735670 0.80 MAPT (0.55) POLBRXFP1LMNAALDH1A1KDM4E
SCHEMBL2143765 0.79 ALDH1A1 (0.51) CTSBALDH1A1HTR2AHTR2C
SCHEMBL16735634 0.79 KDM4C (0.54) POLBRXFP1SPRMAPTRAB9A

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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