SCHEMBL11247617

SCHEMBL11247617

COc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
CYP19A1 P11511 2/20 0.45
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 1/20 0.43
HMOX1 P09601 2/20 0.43
CYP11B1 P15538 1/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL11246746 0.95 MEN1 (0.50) MEN1KMT2AATMCYP19A1TP53
SCHEMBL11244363 0.93 MEN1 (0.52) MEN1KMT2AATMCYP19A1TP53
SCHEMBL11246856 0.90 HMOX1 (0.53) MEN1KMT2AATMTP53CYP1A2
SCHEMBL11238348 0.89 MEN1 (0.54) MEN1KMT2AATMCYP19A1TP53
SCHEMBL11244599 0.88 HMOX1 (0.50) MEN1KMT2AATMCYP19A1HMOX1
SCHEMBL11244076 0.88 MEN1 (0.47) MEN1KMT2AATMCYP19A1TP53
SCHEMBL11243106 0.87 CYP19A1 (0.49) CYP19A1HMOX1CYP11B1TDP1QPCT
SCHEMBL11251627 0.87 ALDH1A1 (0.42) KMT2ACYP19A1RAB9ACYP11B1LMNA
SCHEMBL11242363 0.87 KDM4E (0.50) MEN1KMT2AATMCYP19A1LMNA
SCHEMBL11228678 0.86 MEN1 (0.46) MEN1KMT2AATMCYP19A1TP53

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