SCHEMBL9737719

SCHEMBL9737719

C(=C/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)\c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
MAPK13 O15264 5/20 0.46
MAPK12 P53778 5/20 0.46
MAPK11 Q15759 5/20 0.46
MAPK14 Q16539 5/20 0.46
RAF1 P04049 4/20 0.46
MAPK9 P45984 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL9737724 1.00 HPGDS (0.56) HPGDSCYP11B1CYP11B2RAB9ANPC1
SCHEMBL2125895 0.87 MAPK1 (0.53) RAB9ANPC1MAPK13MAPK12MAPK11
SCHEMBL2125898 0.87 MAPK1 (0.53) RAB9ANPC1MAPK13MAPK12MAPK11
SCHEMBL6468773 0.86 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6468772 0.86 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL30713348 0.74 MAPT (0.54) CYP1A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL7087392 0.74 PTGS2 (0.48) HPGDALDH1A1MAPK1LMNAALOX5
SCHEMBL9736817 0.73 MAPK13 (0.71) RAB9ANPC1MAPK13MAPK12MAPK11
SCHEMBL31668803 0.73 CYP11B2 (1.00) CYP11B1CYP11B2RAB9ANPC1CYP1A1
SCHEMBL9268248 0.73 CYP11B2 (1.00) CYP11B1CYP11B2RAB9ANPC1CYP1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed