SCHEMBL11250469

SCHEMBL11250469

COc1ccc(CCC2(CCn3ccnc3)OCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.58
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
MTOR P42345 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL11246856 0.95 HMOX1 (0.53) HMOX1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11233202 0.90 TP53 (0.49) HMOX1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11246299 0.89 HMOX1 (0.72) HMOX1
SCHEMBL11246746 0.89 MEN1 (0.50) HMOX1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11245468 0.88 HMOX1 (0.73) HMOX1
SCHEMBL11238453 0.88 TP53 (0.45) HMOX1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11246238 0.87 HMOX1 (0.61) HMOX1
SCHEMBL11242859 0.85 HMOX1 (0.66) HMOX1
SCHEMBL11247617 0.85 MEN1 (0.48) HMOX1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11239197 0.85 HMOX1 (0.65) HMOX1

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed