SCHEMBL8558130

SCHEMBL8558130

CCCc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.44
MAPT P10636 7/20 0.41
HTT P42858 5/20 0.40
LMNA P02545 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NPY1R P25929 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NOD2 Q9HC29 1/20 0.37
MGMT P16455 1/20 0.36

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
SCHEMBL27766587 0.91 HTT (0.44) NOS2MAPTHTTLMNAKMT2A
SCHEMBL8601080 0.89 HTT (0.43) NOS2MAPTHTTLMNAKMT2A
SCHEMBL5145767 0.88 MAPT (0.47) NOS2MAPTHTTLMNAKMT2A
SCHEMBL9987621 0.84 HTT (0.40) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL8565117 0.83 MAPT (0.39) MAPTHTTLMNAKMT2AMEN1
SCHEMBL16919118 0.81 HTT (0.51) MAPTHTTLMNAKMT2AMEN1
SCHEMBL16919103 0.80 GFER (0.41) MAPTHTTLMNAKDM4EMITF
SCHEMBL9995175 0.80 HTT (0.42) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL8598075 0.80 HTT (0.42) MAPTHTTLMNAKMT2AKDM4E
SCHEMBL16919121 0.80 ALDH1A1 (0.36) NOS2MAPTHTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598702-B1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same EISAI CO LTD (JP) 1998-06-10 EP disclosed
EP-0628557-B1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same EISAI CO LTD (JP) 1997-05-02 EP disclosed
US-5506238-A HYPOTENSIVE AGENT EISAI CO., LTD. (JP) 1996-04-09 US disclosed
EP-0628557-A1 Biphenylmethane derivatives, the use of them and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-12-14 EP disclosed
US-5328911-A Cardiovascular disorders, hypotensive agents and congestive heart failure EISAI CO., LTD. (JP) 1994-07-12 US disclosed
CN-1025331-C Biphenylmethane derivative and pharmacological use EISAI CO LTD (JP) 1994-07-06 CN disclosed
EP-0598702-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1994-05-25 EP disclosed
US-5298518-A Biphenylmethane derivative and pharmacological use EISAI CO., LTD. (JP) 1994-03-29 US disclosed
CN-1050539-A Diphenyl methane derivative and medicinal EISAI CO LTD (JP) 1991-04-10 CN disclosed
EP-0420237-A1 Biphenylmethane derivative, the use of it and pharmacological compositions containing same Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed