SCHEMBL11237009

SCHEMBL11237009

COc1ccc(C2(CCCn3ccnc3)OCC(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.50
QPCT Q16769 3/20 0.48
HMOX1 P09601 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL11238847 0.97 MEN1 (0.49) MEN1KMT2AATMQPCTHMOX1
SCHEMBL11246401 0.94 MEN1 (0.46) MEN1KMT2AATMQPCTHMOX1
SCHEMBL11235683 0.88 HMOX1 (0.55) QPCTHMOX1ALDH1A1
SCHEMBL11247263 0.88 QPCT (0.45) QPCTHMOX1ALDH1A1TSHR
SCHEMBL11251785 0.88 KDM4E (0.49) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11253014 0.87 HMOX1 (0.46) MEN1KMT2AHMOX1
SCHEMBL11249800 0.86 MEN1 (0.55) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11236394 0.85 HMOX1 (0.45) KMT2AQPCTHMOX1TSHRGAA
SCHEMBL11238488 0.85 HMOX1 (0.44) MEN1KMT2AQPCTHMOX1ALDH1A1
SCHEMBL11238035 0.85 HMOX1 (0.54) QPCTHMOX1ALDH1A1

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