SCHEMBL11228678

SCHEMBL11228678

CCC1(CC)COC(CCn2ccnc2)(Cc2ccc(OC)cc2)OC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
CYP19A1 P11511 2/20 0.42
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP11B1 P15538 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 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
SCHEMBL11249904 0.93 MEN1 (0.45) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11238453 0.91 TP53 (0.45) MEN1KMT2AATMTSHRTP53
SCHEMBL11244076 0.89 MEN1 (0.47) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11253775 0.89 CYP19A1 (0.44) MEN1KMT2AATMCYP19A1CYP11B1
SCHEMBL11236581 0.89 KDM4E (0.48) MEN1KMT2AATMCYP19A1LMNA
SCHEMBL11249457 0.88 CYP19A1 (0.46) CYP19A1CYP11B1QPCTALDH1A1
SCHEMBL11246746 0.88 MEN1 (0.50) MEN1KMT2AATMCYP19A1TSHR
SCHEMBL11235149 0.87 HMOX1 (0.50) CYP19A1CYP11B1MAPK1
SCHEMBL11252118 0.87 HMOX1 (0.47) CYP19A1CYP11B1
SCHEMBL11242485 0.87 CYP19A1 (0.43) KMT2ACYP19A1CYP1A2CYP3A4CYP2D6

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