SCHEMBL8539617

SCHEMBL8539617

C[Sn](C)(C)n1nnnc1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.44
HSD11B1 P28845 2/20 0.44
PBRM1 Q86U86 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 6/20 0.37
TSHR P16473 3/20 0.37
POLB P06746 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 4/20 0.34
HTT P42858 3/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL8306887 0.73 KCNN4 (0.44) KCNN4HSD11B1PBRM1SLC6A2SLC6A4
SCHEMBL9283842 0.68 PTGS2 (0.67) KCNN4KMT2A
SCHEMBL2447241 0.68 KCNN4 (0.43) KCNN4HSD11B1PBRM1SLC6A2SLC6A4
SCHEMBL5813523 0.68 P2RX7 (0.65) SLC6A2SLC6A4ALDH1A1LMNAKMT2A
SCHEMBL9139454 0.68 KCNN4 (0.52) KCNN4HSD11B1ALDH1A1TSHRPOLB
SCHEMBL9571283 0.68 MAOB (0.52) HTT
SCHEMBL18920526 0.65 PBRM1 (0.59) HSD11B1PBRM1ALDH1A1TSHRLMNA
SCHEMBL9139677 0.64 KCNN4 (0.48) KCNN4ALDH1A1TSHRPOLBCRHBP
SCHEMBL22357731 0.63 ALDH1A1 (0.50) HSD11B1PBRM1ALDH1A1TSHRLMNA
SCHEMBL12759709 0.63 HSD11B1 (0.51) HSD11B1ALDH1A1MEN1KMT2ANPC1

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
EP-0497150-B1 Angiotensin II receptor blocking 2,3,6-substituted quinazolones AMERICAN CYANAMID CO (US) 1998-03-18 EP disclosed
US-5405849-A Treating hypertension, congestive heart failure AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
US-5290780-A Hypotensive agents; congestive heart failure AMERICAN CYANAMID CO. (US) 1994-03-01 US disclosed
EP-0497150-A1 Angiotensin II receptor blocking 2,3,6-substituted quinazolones AMERICAN CYANAMID COMPANY (US) 1992-08-05 EP disclosed