SCHEMBL9506168

SCHEMBL9506168

Cc1c(OCCC(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.44
MCHR1 Q99705 1/20 0.42
GLA P06280 1/20 0.41
KDM4E B2RXH2 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL171941 0.86 NPC1 (0.72) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL26132980 0.83 RAB9A (0.57) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL8489668 0.82 NPC1 (0.56) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL10263950 0.82 NPC1 (0.56) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL310065 0.82 NPC1 (0.56) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL28436127 0.81 NPC1 (0.54) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL30072726 0.80 TDP1 (0.60) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL1141627 0.80 TDP1 (0.60) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL310951 0.79 KDM4E (0.55) NPC1RAB9ARECQLTDP1SMN1; SMN2
SCHEMBL1616773 0.78 TDP1 (0.58) NPC1RAB9ARECQLTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP claimed
CN-1023223-C Process for preparing 1, 5-diphenyl-1H-1, 2, 4-triazole-3-carboxamide derivatives KUREHA CHEMICAL IND CO LTD (JP) 1993-12-22 CN disclosed
US-4919707-A Derivative of 1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide and herbicidal composition containing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-04-24 US disclosed
CN-87102978-A 1, 5-diphenyl-1H-1, 2, 4-triazole-3-carboxamide derivatives and herbicidal formulations thereof 1988-10-05 CN disclosed