SCHEMBL7185722

SCHEMBL7185722

O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
MAPK1 P28482 6/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HCAR3 P49019 3/20 0.60
WNK1 Q9H4A3 2/20 0.59
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9575766 0.90 HCAR3 (0.57) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL2687698 0.88 PKM (0.63) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL7178283 0.87 PKM (0.62) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL7191399 0.87 PKM (0.62) PKMMAPK1NPSR1HCAR3MAPT
SCHEMBL7191405 0.87 PKM (0.62) PKMMAPK1NPSR1HCAR3MAPT
SCHEMBL7178280 0.87 PKM (0.62) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL5752516 0.87 PKM (0.65) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL7191754 0.86 PKM (0.61) PKMMAPK1NPSR1HCAR3WNK1
Hydrochloric Acid SCHEMBL28534319 0.86 PKM (0.64) PKMMAPK1NPSR1HCAR3WNK1
SCHEMBL7191751 0.86 PKM (0.61) PKMMAPK1NPSR1HCAR3WNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 EP disclosed