SCHEMBL4771684

SCHEMBL4771684

Nc1cc(CC=O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.40
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
BRD4 O60885 1/20 0.31
MAP4K4 O95819 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3414018 0.83 ALDH1A1 (0.46) HSD17B10RAB9AMAPTALDH1A1TAAR1
SCHEMBL896163 0.80 HTT (0.42) ALDH1A1MAOAMAOB
SCHEMBL8281240 0.76 LOXL2 (0.48) PARP1HSD17B10NPC1TP53PKM
SCHEMBL13674754 0.76 HSD17B10 (0.40) PARP1HSD17B10NPC1TP53PKM
SCHEMBL29467998 0.76 LOXL2 (0.48) PARP1HSD17B10NPC1TP53PKM
SCHEMBL4767670 0.75 CA6 (0.46) PARP1HSD17B10TP53MAPTTDP1
SCHEMBL2172166 0.75 PIK3CA (0.45) PARP1NPC1RAB9AMAPTALDH1A1
SCHEMBL15903966 0.75 CA12 (0.31) GAACA12CA1CA2CA4
SCHEMBL2370050 0.75 DAO (0.45)
SCHEMBL2432440 0.75 KDM4E (0.45) PARP1CYP2C9CYP2C19ALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 WO disclosed
EP-1989195-A1 PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-12 EP disclosed
WO-2007103260-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-13 WO disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed