SCHEMBL11233770

SCHEMBL11233770

COc1ccc(C2(CCn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
QPCT Q16769 3/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.42
GMNN O75496 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
SCHEMBL11249292 0.93 MEN1 (0.53) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11241810 0.92 MEN1 (0.52) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11237122 0.89 MEN1 (0.52) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11237045 0.87 MEN1 (0.50) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11246654 0.87 QPCT (0.44) MEN1KMT2AQPCTALDH1A1KDM4E
SCHEMBL11243548 0.87 ALDH1A1 (0.53) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11240587 0.86 TP53 (0.44) QPCTALDH1A1KDM4ETSHRTP53
SCHEMBL11253540 0.85 TBXAS1 (0.45) QPCTCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11236382 0.84 KMT2A (0.47) MEN1KMT2AQPCTALDH1A1KDM4E
SCHEMBL11250244 0.82 MEN1 (0.56) 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