SCHEMBL28866664

SCHEMBL28866664

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.52
▸ MAPK14 Q16539 2/20 0.48
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ DEGS1 O15121 1/20 0.44
▸ MAPT P10636 2/20 0.43

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
SCHEMBL28259952 0.95 PTPN1 (0.52) PTPN1MAPK14KDM4ESIRT1POLB
SCHEMBL27972606 0.90 KDM4E (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL27972353 0.87 NAMPT (0.51) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL27972271 0.87 RAB9A (0.53) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL27972362 0.85 LMNA (0.54) PTPN1MAPK14RAB9AMEN1KMT2A
SCHEMBL28261356 0.85 MAPT (0.49) MAPK14NPC1RAB9AKDM4ESIRT1
SCHEMBL28259957 0.85 ADCY1 (0.43) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL28426457 0.85 CHRNB2 (0.43) MEN1KMT2APOLBSMN1; SMN2GAA
SCHEMBL28279915 0.84 MEN1 (0.49) MEN1KMT2APOLBTP53GAA
SCHEMBL27972549 0.84 SMO (0.53) NPC1RAB9AMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483423-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2019-11-22 — — CN disclosed
CN-108863959-A P2X4 RECEPTOR ANTAGONIST 日本化学药品株式会社 2018-11-23 — — CN disclosed
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