SCHEMBL11355652

SCHEMBL11355652

O=C(Nc1csc(Br)n1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
ABL1 P00519 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATAD2 Q6PL18 1/20 0.44
ADORA2B P29275 5/20 0.43
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
GSK3B P49841 1/20 0.42

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
SCHEMBL11358850 0.76 L3MBTL1 (0.48) ABL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL5345384 0.76 HDAC3 (0.40) LMNAMEN1KMT2AKDM4E
SCHEMBL11355587 0.75 ADORA3 (0.44) HPGDRAB9ANPC1LMNASMN1; SMN2
SCHEMBL19873324 0.74 HPGD (0.61) HPGDABL1LMNASMN1; SMN2RXFP1
SCHEMBL11475387 0.71 ADORA3 (0.41) HPGDRAB9ANPC1LMNASMN1; SMN2
SCHEMBL11477427 0.71 ALDH1A1 (0.39) HPGDSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL11475672 0.71 TGM2 (0.44) LMNA
SCHEMBL11354448 0.71 ALDH1A1 (0.44) ABL1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL11490856 0.71 CA2 (0.40) ABL1RAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL22529508 0.70 HPGD (0.51) HPGDABL1RXFP1L3MBTL1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183854-A ANTIULCER OR ANTISECRETORY AGENT FOR MAMMALS JOHN WYETH & BROTHER LIMITED (GB) 1980-01-15 US claimed
US-4148904-A 2-HALO-4-CARBOXAMIDE- OR CARBOXIMIDOTHIAZOLES JOHN WYETH & BROTHER LIMITED (GB) 1979-04-10 US claimed
US-4249012-A ANTISECRETORY ANTIULCER AGENTS JOHN WYETH & BROTHER LTD. (GB) 1981-02-03 US disclosed
US-4183854-A ANTIULCER OR ANTISECRETORY AGENT FOR MAMMALS JOHN WYETH & BROTHER LIMITED (GB) 1980-01-15 US disclosed
US-4148904-A 2-HALO-4-CARBOXAMIDE- OR CARBOXIMIDOTHIAZOLES JOHN WYETH & BROTHER LIMITED (GB) 1979-04-10 US disclosed
US-4134984-A AMIDO-SUBSTITUTED, ANTISECRETORY, ANTIULCER JOHN WYETH & BROTHER LIMITED (GB) 1979-01-16 US disclosed