SCHEMBL28426782

SCHEMBL28426782

O=C(Nc1cccc2ccccc12)c1ccc2cc(Cl)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.55
▸ RAB9A P51151 9/20 0.53
▸ SMN1; SMN2 Q16637 8/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ NFKB2 Q00653 3/20 0.53
▸ RELA Q04206 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50

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
SCHEMBL27920671 0.86 RAB9A (0.68) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL28433205 0.80 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL28497052 0.77 SMN1; SMN2 (0.65) GRIK1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL23440046 0.76 RAB9A (0.61) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL21828993 0.76 GRIK1 (0.64) GRIK1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL27388520 0.75 NPC1 (0.71) GRIK1RAB9ANPC1KMT2AMEN1
SCHEMBL28492426 0.75 GRM5 (0.60) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL27447692 0.75 NPC1 (0.76) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL330342 0.75 KDR (0.65) GRIK1RAB9ANPC1KMT2AMEN1
SCHEMBL24004566 0.74 GRIK1 (0.61) GRIK1RAB9ASMN1; SMN2NPC1KMT2A

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
CN-110156683-B Synthesis method of quinoline oxide 青岛农业大学 2020-06-26 — — CN disclosed
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