SCHEMBL11688264

SCHEMBL11688264

CCCOc1ccc2c(c1)cc(-c1ccccc1)n2C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ GRIK1 P39086 1/20 0.52
▸ GRIK2 Q13002 1/20 0.52
▸ FGFR1 P11362 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ SRD5A2 P31213 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAOA P21397 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ RAD51 Q06609 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL11687595 0.89 KMT2A (0.57) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL21245926 0.83 KMT2A (0.71) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL8942111 0.81 GRIK1 (0.67) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL11687742 0.78 GRIK1 (0.63) KMT2AGRIK1GRIK2MEN1CYP19A1
SCHEMBL16894538 0.77 MAOA (0.54) KMT2AFGFR1MEN1NPC1RAB9A
SCHEMBL18067927 0.77 FGFR1 (0.45) KMT2AFGFR1MEN1NPC1RAB9A
SCHEMBL30568049 0.74 KMT2A (0.49) KMT2AFGFR1KDM4EHPGDALDH1A1
SCHEMBL20473383 0.74 KMT2A (0.49) KMT2AFGFR1KDM4EHPGDALDH1A1
SCHEMBL30568044 0.74 KMT2A (0.49) KMT2AFGFR1KDM4EHPGDALDH1A1
SCHEMBL16894421 0.73 MAOA (0.44) KMT2AFGFR1MEN1NPC1RAB9A

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
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 — — US disclosed
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