Cromitrile

Cromitrile

SCHEMBL11480432

N#Cc1ccc(OCC(O)COc2cccc3oc(-c4nnn[nH]4)cc(=O)c23)cc1.[Na]

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HIF1A Q16665 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
AR P10275 2/20 0.40
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TNKS O95271 1/20 0.34
AGER Q15109 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 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
Cromitrile SCHEMBL11475038 0.99 GPR35 (0.46) GPR35LMNATDP1HIF1AMEN1
Cromitrile SCHEMBL11480428 0.98 GPR35 (0.46) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11489129 0.89 GPR35 (0.53) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11773782 0.89 GPR35 (0.56) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11477011 0.89 GPR35 (0.48) GPR35LMNATDP1HIF1AMEN1
Cromitrile Sodium SCHEMBL636215 0.81 GPR35 (0.46) GPR35LMNATDP1HIF1AMEN1
Cromitrile Sodium SCHEMBL1649767 0.79 GPR35 (0.46) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11482479 0.79 GPR35 (0.57) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11348725 0.77 GPR35 (0.78) GPR35LMNATDP1HIF1AMEN1
SCHEMBL11478258 0.76 GPR35 (0.76) GPR35LMNATDP1HIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238495-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS MILES LABORATORIES, INC. (US) 1980-12-09 US claimed
US-4238495-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS MILES LABORATORIES, INC. (US) 1980-12-09 US disclosed