SCHEMBL10696861

SCHEMBL10696861

CCOCNC(=S)Nc1ccccc1NC(=S)NCOCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9980534 0.81 HPGD (0.53) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL14280598 0.73 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL14392485 0.70 LMNA (0.57) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL10393407 0.69 ALDH1A1 (0.82) MAPK1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL11966912 0.69 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL11282594 0.69 L3MBTL1 (0.70) SMN1; SMN2L3MBTL1ALDH1A1HPGDLMNA
SCHEMBL20537035 0.69 ALOX12 (0.67) SMN1; SMN2ALDH1A1KMT2AHPGDLMNA
Thiophanate SCHEMBL29398343 0.69 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1HPGDLMNAALOX15
Thiophanate SCHEMBL20842 0.69 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1HPGDLMNAALOX15
SCHEMBL11835363 0.68 ALDH1A1 (0.57) SMN1; SMN2MAPK1L3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251083-A2 4-Amino-pyrimidine derivatives BASF Aktiengesellschaft (DE) 1988-01-07 EP disclosed