SCHEMBL21157983

SCHEMBL21157983

Brc1cn[nH]c1COC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19715580 0.70 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL30486563 0.70 KDM4C (0.47) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21156721 0.70 KDM4C (0.37) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL25229073 0.70 KDM4C (0.47) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL1564762 0.70 PDE4A (0.38) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL29447793 0.70 KDM4C (0.40) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL2006340 0.70 TACR1 (0.45) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL25247290 0.69 MEN1 (0.36) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL12168828 0.69 ICAM1 (0.43) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL7737544 0.69 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AMEN1

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-2019126085-A1 PYRAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-06-27 — — WO disclosed
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