SCHEMBL11840596

SCHEMBL11840596

N#Cc1ccc(Cc2ccco2)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
MBOAT4 Q96T53 1/20 0.42
PNP P00491 2/20 0.39
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MCL1 Q07820 1/20 0.37
EED O75530 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GLA P06280 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
HTR6 P50406 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL11840121 0.77 PNP (0.41) PNPKDM4EALDH1A1HPGDRAB9A
SCHEMBL7276657 0.75 CRHBP (0.60) CRHBPCRHR2MBOAT4KDM4EALDH1A1
SCHEMBL11840115 0.75 PNP (0.41) PNPKDM4EALDH1A1HSD17B10GAA
SCHEMBL11835298 0.73 KDM4E (0.43) PNPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18796710 0.72 PDE3B (0.60) PNPKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3836372 0.71 KDM4E (0.50) CRHBPCRHR2KDM4EALDH1A1MCL1
SCHEMBL5117155 0.71 CRHBP (0.54) CRHBPCRHR2MBOAT4KDM4EALDH1A1
SCHEMBL3680667 0.70 KMT2A (0.46) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11832343 0.70 DAO (0.54) CRHBPCRHR2MBOAT4KDM4EALDH1A1
SCHEMBL18796780 0.70 HSD11B1 (0.42) KDM4EALDH1A1MCL1EEDHPGD

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
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US disclosed