SCHEMBL11235289

SCHEMBL11235289

CCCC1(CCC)COC(CCn2ccnc2)(Cc2ccc(C)cc2C)OC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.38
KMT2A Q03164 6/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 3/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
QPCT Q16769 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL11237109 0.93 POLB (0.41) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11234052 0.92 HMOX1 (0.39) CYP11B1CYP11B2
SCHEMBL11242164 0.89 POLB (0.42) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11243716 0.87 POLB (0.44) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11248376 0.86 CYP11B1 (0.46) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11237414 0.86 HMOX1 (0.44)
SCHEMBL11229193 0.85 CYP19A1 (0.45) CYP11B1CYP11B2QPCTALDH1A1
SCHEMBL11244474 0.85 POLB (0.43) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11239088 0.84 CYP11B1 (0.49) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11249026 0.83 CYP11B1 (0.39) POLBCTDSP1TDP1CYP11B1CYP11B2

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