SCHEMBL8043837

SCHEMBL8043837

FC(F)(F)c1cc(-c2csc(Sc3nnc(-c4cccs4)s3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.40
ALDH1A1 P00352 4/20 0.40
EPHX2 P34913 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
EIF4E P06730 1/20 0.36
LRRK2 Q5S007 3/20 0.35

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
SCHEMBL8052850 0.85 KMT2A (0.43) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL8051771 0.78 ALOX5 (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8034012 0.78 LTA4H (0.37) MAPTEIF4EALOX5NPSR1
SCHEMBL8033982 0.78 KDM4E (0.50) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL8042665 0.77 MAPT (0.41) KMT2AMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL8043455 0.77 LTA4H (0.42) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL8046557 0.77 CTSS (0.35) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL8033655 0.77 EIF4E (0.34) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8043471 0.76 KDM4E (0.41) KDM4EALDH1A1EPHX2HSD17B10KMT2A
SCHEMBL8048151 0.76 F2RL3 (0.37) ALDH1A1HSD17B10MAPTRAB9AL3MBTL1

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