SCHEMBL7420401

SCHEMBL7420401

Cc1nc2c(N)cccc2n1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.41
ADORA2A P29274 4/20 0.39
ADORA3 P0DMS8 4/20 0.39
TLR8 Q9NR97 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 1/20 0.36
ELANE P08246 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.35
CHEK1 O14757 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
SCHEMBL30437463 0.81 ALDH1A1 (0.44) KMT2AALDH1A1PARP1KDM4E
SCHEMBL7016266 0.80 NR1H2 (0.46) FBP1PARP1
SCHEMBL7477788 0.75 ADA (0.43) FBP1ADORA2AADORA3TLR8KMT2A
SCHEMBL6118671 0.74 FBP1 (0.49) FBP1ADORA2ATLR8ALDH1A1PARP1
SCHEMBL27945131 0.73 KMT2A (0.68) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL15112010 0.72 KMT2A (0.40) TLR8KMT2AALDH1A1PARP1MEN1
Hydrochloric Acid SCHEMBL28791312 0.71 KMT2A (0.39) TLR8KMT2AALDH1A1PARP1MEN1
SCHEMBL29140843 0.71 NPC1 (0.39) TLR8KMT2AKDM4ENPC1RAB9A
SCHEMBL6126458 0.70 TLR8 (0.55) FBP1TLR8KMT2AALDH1A1KDM4E
SCHEMBL13318998 0.70 ALDH1A1 (0.52) FBP1TLR8KMT2AALDH1A1KDM4E

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