SCHEMBL10694920

SCHEMBL10694920

COc1cccc2nc3sc(C)c(C)n3c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.40
DCPS Q96C86 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
KCNH2 Q12809 2/20 0.39
PKM P14618 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9770665 0.83 ELANE (0.42) ELANERXFP1ALDH1A1HPGDKDM4E
SCHEMBL10696099 0.81 PARP1 (0.44) ELANERXFP1ALDH1A1HPGDKDM4E
SCHEMBL10695051 0.81 TP53 (0.46) RXFP1ALDH1A1HPGDKDM4EMAPT
SCHEMBL9533428 0.81 ELANE (0.43) ELANEALDH1A1HPGDKDM4EMAPT
SCHEMBL10695759 0.79 CYP1A1 (0.43) RXFP1ALDH1A1HPGDKDM4EHRH3
SCHEMBL9534712 0.79 KDM4E (0.59) ELANERXFP1ALDH1A1HPGDKDM4E
SCHEMBL10694401 0.76 ELANE (0.47) ELANEALDH1A1HPGDKDM4EMAPT
SCHEMBL9535344 0.73 ELANE (0.43) ELANEALDH1A1HPGDKDM4EMAPT
SCHEMBL9534033 0.72 PKM (0.50) ELANEALDH1A1HPGDKDM4EMAPT
SCHEMBL9535817 0.70 PARP1 (0.44) ELANERXFP1ALDH1A1HPGDKDM4E

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-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed