SCHEMBL11687595

SCHEMBL11687595

CCOc1ccc2c(c1)cc(-c1ccccc1)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ GRIK1 P39086 1/20 0.55
▸ GRIK2 Q13002 1/20 0.55
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP19A1 P11511 2/20 0.51
▸ MAPT P10636 2/20 0.48
▸ ACSS2 Q9NR19 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL11688264 0.89 KMT2A (0.54) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL21245926 0.86 KMT2A (0.71) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL11716097 0.84 KMT2A (0.63) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8942111 0.83 GRIK1 (0.67) KMT2AGRIK1GRIK2MEN1NPC1
SCHEMBL11687742 0.81 GRIK1 (0.63) KMT2AGRIK1GRIK2MEN1CYP19A1
SCHEMBL11715647 0.78 APP (0.44) KMT2AGRIK1GRIK2MEN1CYP19A1
SCHEMBL11662919 0.74 KMT2A (0.68) KMT2AGRIK1GRIK2MEN1CYP19A1
SCHEMBL8305794 0.74 KMT2A (0.72) KMT2AGRIK1GRIK2MEN1CYP19A1
SCHEMBL214075 0.73 KMT2A (1.00) KMT2AMEN1CYP19A1MAPTKDM4E
SCHEMBL29581156 0.73 KMT2A (1.00) KMT2AMEN1CYP19A1MAPTKDM4E

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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