SCHEMBL11489129

SCHEMBL11489129

O=c1cc(-c2nnn[nH]2)oc2cccc(OCC(O)COc3ccccc3)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HIF1A Q16665 1/20 0.48
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11773782 0.94 GPR35 (0.56) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11477011 0.92 GPR35 (0.48) GPR35LMNATDP1MEN1KMT2A
Cromitrile SCHEMBL11475038 0.90 GPR35 (0.46) GPR35LMNATDP1MEN1KMT2A
Cromitrile SCHEMBL11480428 0.89 GPR35 (0.46) GPR35LMNATDP1MEN1KMT2A
Cromitrile SCHEMBL11480432 0.89 GPR35 (0.46) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11657040 0.82 GPR35 (0.62) GPR35LMNATDP1MEN1KMT2A
SCHEMBL6957658 0.80 HPGD (0.57) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11654781 0.78 GPR35 (0.67) GPR35LMNATDP1MEN1KMT2A
SCHEMBL6960566 0.78 HPGD (0.46) LMNATDP1MEN1KMT2ABCHE
SCHEMBL6955622 0.77 HPGD (0.45) LMNATDP1BCHEACHEHPGD

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