SCHEMBL9872406

SCHEMBL9872406

CN(C)c1ccccc1CSc1nc(-c2ccccc2)cc(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
LMNA P02545 1/20 0.69
HTT P42858 2/20 0.59
ALDH1A1 P00352 3/20 0.56
ACMSD Q8TDX5 1/20 0.55
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL9838119 0.84 POLB (0.67) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL9870409 0.76 GPR84 (0.47) KMT2ALMNAALDH1A1GAAHPGD
SCHEMBL17548428 0.75 ACMSD (0.71) KMT2ALMNAHTTALDH1A1ACMSD
SCHEMBL9678318 0.74 SMN1; SMN2 (0.47) KMT2ALMNAALDH1A1MEN1HPGD
SCHEMBL10699252 0.74 SMN1; SMN2 (0.47) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL26039905 0.73 ALDH1A1 (0.70) KMT2ALMNAHTTALDH1A1GAA
SCHEMBL9879361 0.73 MGAM (0.44) KMT2ALMNAALDH1A1MEN1GAA
SCHEMBL6483534 0.72 RAB9A (0.64) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL17068765 0.72 HDAC1 (0.64) KMT2ALMNAHTTALDH1A1ACMSD
SCHEMBL9870574 0.71 GLA (0.61) KMT2ALMNAHTTALDH1A1MEN1

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