SCHEMBL8997629

SCHEMBL8997629

Oc1cc(OCCc2ccccc2)ccc1-n1nc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAOA P21397 6/20 0.43
MAOB P27338 6/20 0.43
LTA4H P09960 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL7532670 0.88 LMNA (0.50) RAB9ANPC1MAOBLMNA
SCHEMBL6474039 0.88 NPC1 (0.45) RAB9ANPC1MAOBLMNA
SCHEMBL8854056 0.86 NPC1 (0.44) RAB9ANPC1MAOAMAOBLMNA
SCHEMBL8913712 0.85 NPC1 (0.43) RAB9ANPC1CA12CA1CA2
SCHEMBL21145629 0.84 NPC1 (0.46) RAB9ANPC1LTA4HLMNAMEN1
SCHEMBL7141357 0.84 GPBAR1 (0.46) RAB9ANPC1LTA4HLMNAMEN1
SCHEMBL29463600 0.84 GPBAR1 (0.46) RAB9ANPC1LTA4HLMNAMEN1
SCHEMBL29510555 0.84 NPC1 (0.46) RAB9ANPC1LTA4HLMNAMEN1
SCHEMBL508086 0.83 NPC1 (0.41) RAB9ANPC1LMNA
SCHEMBL29204751 0.82 CYSLTR2 (0.50) FFAR1RAB9ANPC1PDE2A

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
EP-0661401-A2 Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1995-07-05 EP claimed
US-5516436-A Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1996-05-14 US disclosed
EP-0661401-A2 Agent for treating textile materials NICCA CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed