SCHEMBL27972568

SCHEMBL27972568

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 10/20 0.48
▸ RAB9A P51151 10/20 0.48
▸ SMN1; SMN2 Q16637 8/20 0.48
▸ MAPT P10636 5/20 0.48
▸ TP53 P04637 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ PTPRC P08575 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ PTPN13 Q12923 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
SCHEMBL28426457 0.88 CHRNB2 (0.43) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL28279915 0.87 MEN1 (0.49) MEN1KMT2ATDP1TP53HTT
SCHEMBL27972549 0.87 SMO (0.53) MEN1KMT2ATDP1LMNANPC1
SCHEMBL27972547 0.84 TSHR (0.40) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL28259959 0.84 CHRNB2 (0.40) MEN1KMT2AALDH1A1PTPRCL3MBTL1
SCHEMBL27972608 0.84 KCNK3 (0.50) KMT2ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL28259950 0.84 NPC1 (0.51) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL28866664 0.84 PTPN1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27972279 0.83 FADS1 (0.39) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL28419689 0.82 CHRNB2 (0.38) MEN1KMT2ALMNAALDH1A1L3MBTL1

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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