SCHEMBL16735667

SCHEMBL16735667

CC1CCN(C(=O)c2cc3ncccc3cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ HPGD P15428 7/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ACHE P22303 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL16735647 0.88 POLB (0.49) POLBCTSBMAPTRAB9AALDH1A1
SCHEMBL16735670 0.86 MAPT (0.55) POLBHPGDMAPTNPC1RAB9A
SCHEMBL16735578 0.86 POLB (0.56) POLBHPGDMAPTALDH1A1SMN1; SMN2
SCHEMBL16735593 0.86 RXFP1 (0.56) POLBHPGDRXFP1
SCHEMBL16735605 0.85 POLB (0.51) POLBALDH1A1RXFP1
SCHEMBL16735663 0.83 RXFP1 (0.45) POLBRXFP1
SCHEMBL16735680 0.82 POLB (0.42) POLBHPGDRAB9AALDH1A1KMT2A
SCHEMBL16735658 0.82 POLB (0.53) POLBTSHRMAPTNPC1RAB9A
SCHEMBL16735619 0.81 POLB (0.52) POLBHPGDRAB9ARXFP1TP53
SCHEMBL16735620 0.81 KCNH2 (0.45) POLBHPGDTSHRNPC1RAB9A

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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