SCHEMBL20733895

SCHEMBL20733895

C1=C[C@@H](c2ccccc2)NC(c2ccccc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CACNA1D Q01668 1/20 0.31

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
SCHEMBL17489915 0.76 MEN1 (0.30) KMT2AMAPTMEN1NPC1
SCHEMBL17490219 0.76 MEN1 (0.33) KMT2AKDM4EGAAMAPTMEN1
SCHEMBL23895438 0.74 ALDH1A1 (0.44) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL14654488 0.74 NISCH (0.35) ALDH1A1
SCHEMBL21532674 0.74 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EHSD17B10RXFP1
SCHEMBL20618802 0.73 ALDH1A1 (0.46) P2RX7ALDH1A1HPGDKMT2AKDM4E
SCHEMBL22701780 0.71 MEN1 (0.40) KMT2AMEN1
SCHEMBL21423240 0.68 — —
SCHEMBL19071875 0.67 L3MBTL1 (0.43) ALDH1A1HPGDKMT2AKDM4EMAPT
SCHEMBL18732193 0.67 ALDH1A1 (0.38) P2RX7ALDH1A1HPGDKMT2AKDM4E

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
WO-2019031605-A1 FUSED RING COMPOUND 東ソー株式会社 2019-02-14 — — WO disclosed
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