SCHEMBL11246401

SCHEMBL11246401

COc1ccc(C2(CCn3ccnc3)OCC(C)O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
QPCT Q16769 3/20 0.45
HMOX1 P09601 2/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL11237009 0.94 MEN1 (0.50) MEN1KMT2AATMQPCTHMOX1
SCHEMBL11238847 0.93 MEN1 (0.49) MEN1KMT2AATMQPCTHMOX1
SCHEMBL11236215 0.89 HMOX1 (0.42) KMT2AHMOX1ALDH1A1KDM4ECYP1A2
SCHEMBL11245162 0.88 HMOX1 (0.47) KMT2AQPCTHMOX1ALDH1A1KDM4E
SCHEMBL11243032 0.88 HMOX1 (0.57) HMOX1KDM4ETSHR
SCHEMBL11235557 0.86 HMOX1 (0.47) HMOX1
SCHEMBL10852213 0.86 HMOX1 (0.46) MEN1KMT2AATMQPCTHMOX1
SCHEMBL11243811 0.85 MEN1 (0.51) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11233835 0.85 KMT2A (0.45) MEN1KMT2AHMOX1ALDH1A1KDM4E
SCHEMBL11237122 0.84 MEN1 (0.52) MEN1KMT2AATMQPCTALDH1A1

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