SCHEMBL11248612

SCHEMBL11248612

CCC1(CC)COC(CCn2ccnc2)(Cc2cccc(C)c2)OC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.50
CYP11B2 P19099 4/20 0.50
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
IDO1 P14902 1/20 0.37
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
EGFR P00533 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11239088 0.93 CYP11B1 (0.49) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL11239243 0.89 CYP11B1 (0.52) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL11248555 0.89 CYP11B1 (0.52) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL11254885 0.89 CYP11B1 (0.46) CYP11B1CYP11B2KMT2APOLBCTDSP1
SCHEMBL11242485 0.88 CYP19A1 (0.43) CYP11B1CYP11B2KMT2ACYP1A2CYP3A4
SCHEMBL11242726 0.88 CYP11B1 (0.55) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL11249457 0.87 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL11250794 0.86 CYP11B1 (0.53) CYP11B1CYP11B2KMT2ASMN1; SMN2CYP1A2
SCHEMBL11232028 0.83 CYP11B1 (0.50) CYP11B1CYP11B2
SCHEMBL11253197 0.83 HMOX1 (0.50) CYP11B1CYP11B2

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