SCHEMBL25239936

SCHEMBL25239936

Cn1nnc(-c2ncc(-c3ccc(O)cc3)c(C3CC3)n2)c1COC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 2/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ MET P08581 1/20 0.30
▸ GRIA1 P42261 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30

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
SCHEMBL25278645 0.88 KDM4C (0.35) KDM4CNPC1RAB9AIRAK4
SCHEMBL25232876 0.88 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30460030 0.88 KDM4C (0.33) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL25238670 0.83 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL30544898 0.83 NPC1 (0.36) KDM4CNPC1RAB9AL3MBTL1
SCHEMBL21058017 0.82 GABRA5 (0.40) GABRA5KDM4CNPC1RAB9AMEN1
SCHEMBL25278970 0.79 ABCB11 (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30460219 0.78 KDM4C (0.34) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL22806839 0.77 SLCO1B1 (0.41) GABRA5KDM4CNPC1RAB9AMEN1
SCHEMBL30460092 0.76 NPC1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109878-A1 TRIAZASPIRO LPAR1 ANTAGONIST AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-06-22 — — WO disclosed
Send feedback