SCHEMBL7477180

SCHEMBL7477180

COCCNc1nc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.46
PKN1 Q16512 1/20 0.46
PKN2 Q16513 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR3 P49019 1/20 0.41
NPC1 O15118 1/20 0.40
CCNT1 O60563 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
SCHEMBL7954749 0.86 PKN1 (0.49) RIPK1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL7016736 0.83 PKN1 (0.46) RIPK1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL7966265 0.81 KAT2B (0.52) RIPK1PKN1PKN2LMNAMAPT
SCHEMBL7964827 0.81 CHRM2 (0.52) RIPK1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL8601355 0.79 PKN1 (0.55) PKN1PKN2LMNASMN1; SMN2RAB9A
SCHEMBL7475431 0.78 RIPK1 (0.48) RIPK1SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL7475180 0.76 PKN1 (0.51) PKN1PKN2SMN1; SMN2RAB9AALDH1A1
SCHEMBL8599658 0.74 PKN1 (0.56) PKN1PKN2SMN1; SMN2RAB9AALDH1A1
SCHEMBL7486053 0.74 PKN1 (0.50) PKN1PKN2LMNASMN1; SMN2RAB9A
SCHEMBL1013853 0.74 LMNA (0.54) PKN1PKN2LMNASMN1; SMN2RAB9A

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed