SCHEMBL11245199

SCHEMBL11245199

CC(C)(C)c1ccc(CC2(CCn3ccnc3)OCCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
HMOX1 P09601 3/20 0.43
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11251782 0.95 KMT2A (0.48) KMT2AMEN1POLBHMOX1LMNA
SCHEMBL11245347 0.88 HMOX1 (0.50) KMT2AMEN1POLBHMOX1
SCHEMBL11245915 0.88 KMT2A (0.46) KMT2AMEN1POLBHMOX1CYP19A1
SCHEMBL11243106 0.87 CYP19A1 (0.49) POLBHMOX1CYP19A1TDP1
SCHEMBL11242390 0.86 KMT2A (0.44) KMT2AMEN1POLBHMOX1LMNA
SCHEMBL11244237 0.85 KMT2A (0.43) KMT2AMEN1POLBHMOX1LMNA
SCHEMBL11243047 0.85 CYP2A6 (0.50) HMOX1CYP19A1
SCHEMBL11244588 0.85 HMOX1 (0.60) HMOX1CYP19A1
SCHEMBL11231971 0.84 CYP19A1 (0.47) POLBHMOX1CYP19A1MAPT
SCHEMBL11247617 0.84 MEN1 (0.48) KMT2AMEN1HMOX1CYP19A1LMNA

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