SCHEMBL9876064

SCHEMBL9876064

CCc1c(C)nc(SCc2cc(C)ccn2)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.72
HTT P42858 4/20 0.51
LMNA P02545 5/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL22639867 0.84 GLA (1.00) GLAHTTLMNATSHRHPGD
SCHEMBL9870534 0.77 PSD (0.62) LMNATSHRHPGDMAPTSMN1; SMN2
SCHEMBL14485993 0.75 DAO (0.56) GLALMNA
SCHEMBL9870574 0.70 GLA (0.61) GLAHTTLMNATSHRHPGD
SCHEMBL11464707 0.69 CYP2E1 (0.65) HTTLMNAHPGDMAPTSMN1; SMN2
SCHEMBL10857521 0.69 KDM4E (0.63) GLAHTTLMNATSHRHPGD
SCHEMBL22639722 0.65 SMN1; SMN2 (0.62) HTTLMNATSHRHPGDMAPT
SCHEMBL20828281 0.65 LMNA (0.74) HTTLMNATSHRMAPTSMN1; SMN2
SCHEMBL31421768 0.65
SCHEMBL12596 0.65

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