SCHEMBL2656516

SCHEMBL2656516

CC(=O)Nc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL9793680 1.00 POLB (0.50) POLBCYP2C19TSHRSMN1; SMN2NPC1
SCHEMBL13705663 0.86 SMN1; SMN2 (0.49) POLBCYP2C19SMN1; SMN2PKMKDM4E
SCHEMBL20395326 0.83 HSD17B10 (0.51) POLBCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL14743197 0.83 MAPT (0.55) POLBTSHRKDM4EALDH1A1KMT2A
SCHEMBL1247252 0.82 PKM (0.56) POLBCYP2C19TSHRSMN1; SMN2PKM
SCHEMBL11620684 0.82 ALDH1A1 (0.58) POLBTSHRSMN1; SMN2RAB9APKM
SCHEMBL6168992 0.82 SMN1; SMN2 (0.62) POLBCYP2C19TSHRSMN1; SMN2RAB9A
SCHEMBL5875056 0.81 KMT2A (0.47) POLBTSHRSMN1; SMN2PKMKDM4E
SCHEMBL29953799 0.79 SMN1; SMN2 (0.45) POLBCYP2C19SMN1; SMN2PKMKDM4E
SCHEMBL5369486 0.79 KMT2A (0.50) POLBSMN1; SMN2KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113766992-B Flux and solder paste 株式会社弘辉 2022-06-10 CN disclosed
CN-113766992-A Flux and solder paste 株式会社弘辉 2021-12-07 CN disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6369092-B1 Method for treating neoplasia by exposure to substituted benzimidazole derivatives CELL PATHWAYS, INC. 2002-04-09 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0196910-B1 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-01-02 EP disclosed
US-4686292-A Benzo[α]phenazine antitumor agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0196910-A2 Benzo[a]phenazine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-10-08 EP disclosed