SCHEMBL27972283

SCHEMBL27972283

O=C(Cc1ccccc1O)Nc1ccc(-c2cccc3c2C=CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL27972313 0.88 KCNJ5 (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28423745 0.86 LMNA (0.50) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL27972580 0.86 BCHE (0.49) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL28259976 0.83 KCNJ5 (0.39) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL27972318 0.83 PTPN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL28260015 0.81 HCAR2 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27972588 0.81 HDAC3 (0.38) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL27972631 0.80 MAPT (0.51) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL28261424 0.79 APP (0.43) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL28259972 0.79 NPC1 (0.47) MEN1KMT2AKDM4EMAPTALDH1A1

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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