SCHEMBL8041970

SCHEMBL8041970

O=[N+]([O-])c1ccc(-n2nnnc2Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 4/20 0.40
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MITF O75030 2/20 0.31
MAPK1 P28482 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
ALPG P10696 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8049863 0.85 MAPT (0.43) EIF4EKMT2AMEN1POLBHPGD
SCHEMBL8043331 0.84 MAPT (0.34) EIF4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8032798 0.84 KDM4E (0.32) EIF4EMAPTHTT
SCHEMBL8045804 0.83 KDM1A (0.39) EIF4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8044497 0.80 HTT (0.33) EIF4EKMT2AMEN1POLBMAPT
SCHEMBL8047853 0.78 KMT2A (0.40) KMT2AMEN1POLBHPGDSMN1; SMN2
SCHEMBL8041803 0.78 MAPT (0.34) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL8043200 0.78 ALDH1A1 (0.43) KMT2APOLBHPGDSMN1; SMN2LMNA
SCHEMBL8043931 0.76 PTGS2 (0.43) CYP2C9
SCHEMBL8033936 0.76 ALDH1A1 (0.42) KMT2AMEN1POLBHPGDSMN1; SMN2

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