SCHEMBL9525903

SCHEMBL9525903

O=C(Nc1ccccn1)Oc1nnc2ccc(Cl)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.48
GRIK1 P39086 1/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 2/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
FFAR2 O15552 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9525669 0.87 NPC1 (0.44) NPC1RAB9APKMTP53KMT2A
SCHEMBL9525703 0.87 RAB9A (0.43) NPC1RAB9APKMTP53KMT2A
SCHEMBL9523603 0.86 NPC1 (0.45) NPC1RAB9APKMTP53KMT2A
SCHEMBL9524933 0.85 NPC1 (0.48) NPC1RAB9APKMHPGDMITF
SCHEMBL9527921 0.84 TMPRSS4 (0.42) GRIK1NPC1RAB9AKMT2AMEN1
SCHEMBL9524819 0.83 SORT1 (0.47) NPC1RAB9AHPGDTP53KMT2A
SCHEMBL9528013 0.81 HPGD (0.46) NPC1RAB9AHPGDKMT2AMEN1
SCHEMBL9525753 0.81 KCNMA1 (0.57) KCNMA1GRIK1NPC1RAB9AHPGD
SCHEMBL9524939 0.78 MEN1 (0.48) GRIK1NPC1RAB9AHPGDKMT2A
SCHEMBL9527538 0.77 KMT2A (0.47) GRIK1RAB9AKMT2AMEN1SMN1; SMN2

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