SCHEMBL6604643

SCHEMBL6604643

Nc1cccc2[nH]c(CN3CCOCC3)nc12

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CXCR4 P61073 1/20 0.48
PARP1 P09874 2/20 0.47
HTT P42858 1/20 0.45
CHEK1 O14757 1/20 0.44
DRD4 P21917 4/20 0.44
GRIN2B Q13224 2/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7483052 0.87 HTT (0.58) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7479734 0.86 HTT (0.61) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7474439 0.84 HTR6 (0.48) HPGDPARP1HTTCHEK1DRD4
SCHEMBL7484755 0.80 HPGD (0.57) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7479693 0.79 HPGD (0.56) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL5663240 0.78 HPGD (0.63) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2026474 0.77 HPGD (1.00) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL5864371 0.77 HPGD (0.64) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL13833222 0.76 HPGD (0.97) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL7015249 0.76 TP53 (0.60) HPGDKDM4EMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP disclosed
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
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO 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