SCHEMBL27972279

SCHEMBL27972279

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1cccc(O)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.39
▸ SMO Q99835 2/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PNLIP P16233 1/20 0.37
▸ P2RX1 P51575 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL27972549 0.87 SMO (0.53) SMOLMNAMEN1KMT2ANPC1
SCHEMBL28427586 0.87 JAK2 (0.52) KMT2ANPC1RAB9AJAK2TP53
SCHEMBL28429490 0.84 NR1H4 (0.45) SMOMEN1KMT2ANPC1RAB9A
SCHEMBL28426457 0.84 CHRNB2 (0.43) SMOLMNAMEN1KMT2ACHRNB2
SCHEMBL27972308 0.83 MEN1 (0.50) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL28261342 0.83 MEN1 (0.52) MEN1KMT2ANPC1RAB9AJAK2
SCHEMBL27972568 0.83 MEN1 (0.53) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL28279915 0.83 MEN1 (0.49) SMOMEN1KMT2ACHRNB2CHRNB4
SCHEMBL28419689 0.81 CHRNB2 (0.38) SMOLMNAMEN1KMT2ACHRNB2
SCHEMBL27972572 0.81 RAB9A (0.53) LMNAMEN1KMT2ANPC1RAB9A

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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