SCHEMBL27972631

SCHEMBL27972631

O=C(CCc1ccccc1)Nc1ccc(-c2cccc3c2C=CCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ MAPK14 Q16539 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ TOP2A P11388 1/20 0.47
▸ TOP2B Q02880 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL27972580 0.89 BCHE (0.49) MAPTMAPK14GAARAB9ANPC1
SCHEMBL28260015 0.86 HCAR2 (0.41) MAPTNAMPTMAPK14LMNASMN1; SMN2
SCHEMBL27972588 0.85 HDAC3 (0.38) MAPTHTTNAMPTMAPK14RAB9A
SCHEMBL28259972 0.82 NPC1 (0.47) MAPTHTTGAARAB9ALMNA
SCHEMBL28866664 0.81 PTPN1 (0.52) MAPTHTTMAPK14GAARAB9A
SCHEMBL27972283 0.80 MEN1 (0.41) MAPTMAPK14RAB9ALMNANPC1
SCHEMBL27972334 0.79 PDE3B (0.52) NAMPTROCK2RORC
SCHEMBL27972318 0.79 PTPN1 (0.48) MAPTROCK2LMNANPC1SMN1; SMN2
SCHEMBL27972313 0.79 KCNJ5 (0.50) MAPTROCK2LMNASMN1; SMN2MEN1
SCHEMBL28259952 0.78 PTPN1 (0.52) MAPK14SMN1; SMN2HDAC2HDAC8HDAC6

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 3 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
CN-104066724-A P2X4 receptor antagonists NIPPON CHEMIPHAR CO 2014-09-24 — — CN disclosed
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