SCHEMBL7006796

SCHEMBL7006796

CC(=O)Nc1cccc(-c2c(CO[SiH](c3ccccc3)c3ccccc3)cc(C)c(C(C)(C)C)c2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
BRAF P15056 4/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
USP7 Q93009 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL7016635 0.83 TRPV1 (0.42) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL7008888 0.82 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL7012942 0.72
SCHEMBL7012758 0.68
SCHEMBL3786463 0.65 NQO2 (0.73) NQO2RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL5433837 0.65 HSD17B10 (0.62) NQO2RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL7014442 0.64
SCHEMBL12305792 0.62 NQO2 (0.59) NQO2RAB9ANPC1SMN1; SMN2TSHR
Acetanilide SCHEMBL6693944 0.61 HSD17B10 (0.76) NQO2RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29117960 0.61 KMT2A (0.65) NQO2RAB9ANPC1SMN1; SMN2TSHR

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-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0879233-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-25 EP disclosed
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997028153-A1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-07 WO disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed