SCHEMBL8045965

SCHEMBL8045965

O=C(O)c1ccsc1-n1nnnc1Sc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1.O=C(O)c1ccsc1-n1nnnc1Sc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALOX5 P09917 2/20 0.39
EIF4E P06730 5/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LDHA P00338 1/20 0.38
CRHBP P24387 1/20 0.36
MC4R P32245 1/20 0.36
CRHR2 Q13324 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8714734 0.91 KMT2A (0.43) MEN1KMT2ARAB9ANPC1EIF4E
SCHEMBL8050863 0.83 ALOX5 (0.35) MEN1KMT2AALOX5EIF4ELMNA
SCHEMBL8048673 0.82 MEN1 (0.40) MEN1KMT2ARAB9ANPC1EIF4E
SCHEMBL8043968 0.78 MEN1 (0.45) MEN1KMT2AEIF4ELMNAKDM4E
SCHEMBL8050933 0.77 LMNA (0.40) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL8715721 0.76 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL8043200 0.76 ALDH1A1 (0.43) KMT2ALMNAKDM4EMAPTSMN1; SMN2
SCHEMBL8048723 0.75 VCP (0.48) MEN1KMT2ARAB9ANPC1ALOX5
SCHEMBL8044415 0.74 MAPT (0.33) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL8044888 0.74 MEN1 (0.53) MEN1KMT2ARAB9ANPC1LMNA

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