SCHEMBL9870591

SCHEMBL9870591

COc1c(C)cnc(CSc2nc(C)cc(=O)[nH]2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.60
LMNA P02545 3/20 0.55
MMP13 P45452 1/20 0.55
HPGD P15428 4/20 0.50
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PTBP1 P26599 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
SHMT2 P34897 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL27663985 0.76 BRS3 (0.57) BRS3HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL9784651 0.76 BRS3 (0.64) BRS3HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL10578851 0.75 BRS3 (0.74) BRS3LMNAMAPTSMN1; SMN2SHMT2
SCHEMBL10715411 0.75 BRS3 (0.68) BRS3HPGDMAPTSMN1; SMN2ALDH1A1
Ufiprazole SCHEMBL662986 0.75 BRS3 (0.84) BRS3LMNAHPGDMAPTSMN1; SMN2
Ufiprazole SCHEMBL29693729 0.75 BRS3 (1.00) BRS3HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL10578102 0.75 BRS3 (0.61) BRS3HPGDTSHRMAPTSMN1; SMN2
SCHEMBL10574894 0.75 BRS3 (0.61) BRS3HPGDTSHRMAPTSMN1; SMN2
Ufiprazole SCHEMBL29455226 0.75 BRS3 (0.84) BRS3LMNAHPGDMAPTSMN1; SMN2
Ufiprazole SCHEMBL1816535 0.75 BRS3 (1.00) BRS3HPGDMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037830-A Antisecretory-antiulcer agents RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1991-08-06 US disclosed
EP-0391254-A2 Novel thiouracil derivatives pharmaceutical compositions containing them and process for preparing same RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1990-10-10 EP disclosed