SCHEMBL27972549

SCHEMBL27972549

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 11/20 0.53
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GRM4 Q14833 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28261342 0.89 MEN1 (0.52) MAPTRAB9ATDP1KMT2AMEN1
SCHEMBL28429490 0.88 NR1H4 (0.45) SMOMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL28426457 0.88 CHRNB2 (0.43) SMOSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL27972279 0.87 FADS1 (0.39) SMORAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27972568 0.87 MEN1 (0.53) MAPTRAB9ASMN1; SMN2TDP1KMT2A
SCHEMBL28279915 0.87 MEN1 (0.49) SMOTDP1KMT2AMEN1L3MBTL1
SCHEMBL28422093 0.86 MEN1 (0.48) SMOMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL27972308 0.85 MEN1 (0.50) MAPTMAPK1RAB9ASMN1; SMN2TDP1
SCHEMBL28427586 0.84 JAK2 (0.52) MAPTMAPK1RAB9ASMN1; SMN2KMT2A
SCHEMBL28259959 0.84 CHRNB2 (0.40) KMT2AMEN1L3MBTL1

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
Send feedback