SCHEMBL7425563

SCHEMBL7425563

O=C(OCc1ccccc1)c1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.55
MAPK14 Q16539 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
TSHR P16473 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP12 P39900 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 1/20 0.48
MMP1 P03956 1/20 0.47

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
SCHEMBL3264030 0.82 NR4A2 (0.61) ALDH1A1TDP1TSHRRAB9APOLB
SCHEMBL6417970 0.81 NUDT1 (0.57) ALDH1A1TSHRKMT2A
SCHEMBL8726262 0.78 HDAC1 (0.47) ALDH1A1MAPK14TSHRKMT2ARAB9A
SCHEMBL50441 0.78 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRMMP2
SCHEMBL29388715 0.78 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRMMP2
SCHEMBL7496168 0.78 RHEB (0.46) ALDH1A1MAPK14L3MBTL1MMP2MMP9
SCHEMBL3048365 0.77 ALDH1A1 (0.65) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL5414315 0.77 KEAP1 (0.58) ALDH1A1TDP1L3MBTL1TSHRMMP2
SCHEMBL24774355 0.77 KMT2A (0.45) ALDH1A1TDP1L3MBTL1TSHRMMP2
SCHEMBL5851095 0.77 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1TSHRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 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
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
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed