SCHEMBL9524939

SCHEMBL9524939

O=C(Nc1cccc(F)c1)Oc1nnc2ccc(Cl)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.48
GRIK1 P39086 1/20 0.46
NPC1 O15118 2/20 0.44
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 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
SCHEMBL9524848 0.92 MEN1 (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9528013 0.92 HPGD (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9524715 0.92 MEN1 (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9527538 0.89 KMT2A (0.47) MEN1KMT2ARAB9AGRIK1MAPT
SCHEMBL9527921 0.89 TMPRSS4 (0.42) MEN1KMT2ARAB9AGRIK1NPC1
SCHEMBL9524849 0.88 ALDH1A1 (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9525178 0.87 NPC1 (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9524870 0.84 CSF1R (0.45) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9523908 0.83 HPGD (0.46) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9525091 0.81 RAB9A (0.41) MEN1KMT2ARAB9ANPC1MAPT

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
EP-0277791-B1 CINNOLINE-CARBOXAMIDES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1993-06-02 EP claimed