SCHEMBL8046645

SCHEMBL8046645

NC(=O)Cc1nnc(Sc2nc(-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
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.38
F2 P00734 1/20 0.38
EIF4E P06730 2/20 0.38
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CDK1 P06493 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
ICMT O60725 1/20 0.34
RORB Q92753 2/20 0.34
RORC P51449 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
SCHEMBL8033608 0.90 EIF4E (0.40) ALDH1A1L3MBTL1EIF4EMEN1RORB
SCHEMBL8033655 0.85 EIF4E (0.34) ALDH1A1L3MBTL1SCN9AEIF4EMEN1
SCHEMBL8048108 0.85 KMT2A (0.40) ALDH1A1L3MBTL1EIF4EMEN1SMN1; SMN2
SCHEMBL8050203 0.84 RXRA (0.41) ALDH1A1L3MBTL1LMNAEIF4EMEN1
SCHEMBL8044775 0.83 EIF4E (0.33) ALDH1A1L3MBTL1EIF4EMEN1KDM4E
SCHEMBL8046557 0.83 CTSS (0.35) ALDH1A1L3MBTL1EIF4EMEN1KDM4E
SCHEMBL8048125 0.81 CTSK (0.41) ALDH1A1L3MBTL1RAB9AEIF4EKMT2A
SCHEMBL8043684 0.81 RAB9A (0.48) ALDH1A1L3MBTL1LMNARAB9ASCN9A
SCHEMBL8048151 0.80 F2RL3 (0.37) ALDH1A1L3MBTL1LMNARAB9AEIF4E
SCHEMBL8050843 0.80 CTSS (0.38) ALDH1A1L3MBTL1EIF4EALOX5HDAC3

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