SCHEMBL8736210

SCHEMBL8736210

O=C(c1cccc(C(=O)c2ncc[nH]2)c1)c1ncc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BRAF P15056 3/20 0.44
HDAC1 Q13547 2/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.41
F2RL1 P55085 1/20 0.40
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.38
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL111544 0.89 KMT2A (0.55) RAB9ANPC1KMT2AL3MBTL1KDM4E
SCHEMBL697332 0.89 NPC1 (0.54) RAB9ANPC1KMT2AHDAC1F2RL1
SCHEMBL7519925 0.89 RAB9A (0.54) RAB9ANPC1KMT2AATMTDP1
SCHEMBL4069827 0.89 NPC1 (0.54) RAB9ANPC1KMT2ATDP1L3MBTL1
SCHEMBL13947485 0.89 RAB9A (0.54) RAB9ANPC1KMT2AATMTDP1
SCHEMBL653441 0.87 RAB9A (0.69) RAB9ANPC1KMT2AATMTDP1
SCHEMBL112360 0.85 NPC1 (0.50) RAB9ANPC1KMT2APRKCI
SCHEMBL10757464 0.83 CES2 (0.54) RAB9ANPC1KMT2AHTTKDM4E
SCHEMBL173730 0.82 CD74 (0.63) RAB9ANPC1KMT2A
SCHEMBL6680848 0.82 NPC1 (0.58) RAB9ANPC1KMT2ATDP1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60127325-A None JP disclosed
EP-0661309-B1 Use of hydroperoxide derivatives of Cyclo-olefin copolymers TICONA GMBH (DE) 1998-11-25 EP disclosed
EP-0661309-A2 Cyclo-olefin copolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed
JP-S60127325-A MANUFACTURE OF NYLON BLOCK COPOLYMER SUMITOMO CHEM CO LTD 1985-07-08 JP disclosed
US-4388189-A AMINE-CONTAINING POLYMER, CROSSLINKING TEIJIN LIMITED (JP) 1983-06-14 US disclosed
EP-0031730-A2 The improved semipermeable composite membranes and process for their production TEIJIN LIMITED (JP) 1981-07-08 EP disclosed