SCHEMBL9256256

SCHEMBL9256256

Cn1c(=O)c(CBr)cc2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BRPF1 P55201 2/20 0.40
IDO1 P14902 1/20 0.39
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 2/20 0.37
AHR P35869 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALOX5 P09917 1/20 0.36
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
PKM P14618 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL21977872 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL9209958 0.79 DAO (0.57) KDM4EHSD17B10BRPF1KMT2AAHR
SCHEMBL31018134 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL9250818 0.77 BRPF1 (0.65) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL15970406 0.73 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL30249048 0.72 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL15565909 0.72 THRB (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9257087 0.69 BRPF1 (0.62) KDM4EALDH1A1HPGDHSD17B10BRPF1
SCHEMBL8040679 0.69 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11965203 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5283245-A Antiinflammatory agent, antiallergens IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-01 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 US disclosed