SCHEMBL8043968

SCHEMBL8043968

O=C(O)c1ccc(-n2nnnc2Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.43
EP300 Q09472 1/20 0.42
MAPK1 P28482 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PPARG P37231 1/20 0.40
EIF4E P06730 1/20 0.38
MITF O75030 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RY14 Q15391 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8043200 0.88 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHPGDPOLB
SCHEMBL8043905 0.86 KDM4E (0.37) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL8045514 0.85 HPGD (0.54) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL8050838 0.84 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8037043 0.84 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8043931 0.84 PTGS2 (0.43)
SCHEMBL8047017 0.83 HSP90AA1 (0.44) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL8043941 0.83 PTGS2 (0.37) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL8044888 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4ERECQL
SCHEMBL8033936 0.82 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EHPGD

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed