SCHEMBL11246554

SCHEMBL11246554

COc1ccc(CC2(CCCn3ccnc3)OCC(C)(C)CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11244076 0.94 MEN1 (0.47) MEN1KMT2AATMTSHRCYP1A2
SCHEMBL11238348 0.90 MEN1 (0.54) MEN1KMT2AATMTSHRCYP1A2
SCHEMBL11244363 0.88 MEN1 (0.52) MEN1KMT2AATMTSHRCYP1A2
SCHEMBL11241464 0.88 QPCT (0.46) TSHRQPCTALDH1A1CYP19A1CYP11B1
SCHEMBL11234501 0.87 HMOX1 (0.47) TP53ALDH1A1CYP19A1CYP11B1
SCHEMBL11234779 0.87 CYP19A1 (0.46) MEN1KMT2AATMCYP19A1CYP11B1
SCHEMBL11242514 0.87 CYP19A1 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL11233202 0.84 TP53 (0.49) MEN1KMT2AATMTSHRCYP1A2
SCHEMBL11233797 0.83 KDM4E (0.49) MEN1KMT2AATMLMNAQPCT
SCHEMBL11246746 0.83 MEN1 (0.50) MEN1KMT2AATMTSHRCYP1A2

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