SCHEMBL27972606

SCHEMBL27972606

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ MAPK1 P28482 2/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KCNK3 O14649 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL28866664 0.90 PTPN1 (0.52) KDM4EGAAHTTSMN1; SMN2POLB
SCHEMBL27972271 0.88 RAB9A (0.53) KDM4ELMNATDP1GAASMN1; SMN2
SCHEMBL28259952 0.87 PTPN1 (0.52) KDM4ESMN1; SMN2POLBSTAT3KCNK3
SCHEMBL27972353 0.84 NAMPT (0.51) KDM4ELMNATDP1GAASMN1; SMN2
SCHEMBL27972286 0.81 IDO1 (0.41) POLBTYK2L3MBTL1NPC1ALDH1A1
SCHEMBL28813725 0.80 GRM1 (0.46) KDM4E
SCHEMBL27972621 0.80 NPC1 (0.42) KDM4ETDP1GAASMN1; SMN2POLB
SCHEMBL28261356 0.80 MAPT (0.49) KDM4ELMNATDP1HTTSMN1; SMN2
SCHEMBL27972308 0.80 MEN1 (0.50) KDM4ELMNATDP1GAAHTT
SCHEMBL27972550 0.80 GRM1 (0.43) KDM4ESMN1; SMN2POLBNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 — — CN disclosed
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
Send feedback