SCHEMBL11248672

SCHEMBL11248672

CC(C)(C)c1ccc(C2(CCn3ccnc3)OCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NOS1 P29475 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HMOX1 P09601 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 1/20 0.37
QPCT Q16769 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL11239975 0.95 KMT2A (0.48) KMT2APOLBMEN1SMN1; SMN2LMNA
SCHEMBL11236382 0.89 KMT2A (0.47) KMT2APOLBMEN1SMN1; SMN2LMNA
SCHEMBL11257899 0.86 QPCT (0.47) KMT2APOLBCYP11B1CYP11B2TDP1
SCHEMBL10850943 0.84 KMT2A (0.43) KMT2APOLBMEN1SMN1; SMN2LMNA
SCHEMBL11233835 0.84 KMT2A (0.45) KMT2APOLBMEN1SMN1; SMN2LMNA
SCHEMBL11231289 0.83 TP53 (0.48) CYP11B1CYP11B2KDM4EHMOX1ALDH1A1
SCHEMBL11250956 0.83 CYP19A1 (0.49) POLBCYP11B1CYP11B2HMOX1QPCT
SCHEMBL11241264 0.83 CYP11B1 (0.49) POLBCYP11B1CYP11B2MAPTHMOX1
SCHEMBL11237122 0.82 MEN1 (0.52) KMT2AMEN1KDM4EGAAMAPT
Hydrochloric Acid SCHEMBL11240259 0.82 TP53 (0.47) CYP11B1CYP11B2KDM4EHMOX1ALDH1A1

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