SCHEMBL8042665

SCHEMBL8042665

Cc1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
LMNA P02545 1/20 0.34
EIF4E P06730 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
PPARG P37231 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8034012 0.85 LTA4H (0.37) MAPTALOX5F2RL3EIF4EICAM1
SCHEMBL8051771 0.85 ALOX5 (0.36) MAPTALOX5F2RL3RAB9AEIF4E
SCHEMBL8043997 0.85 MAPT (0.35) MAPTALOX5F2RL3NPC1RAB9A
SCHEMBL8044824 0.84 MAPT (0.34) MAPTALOX5F2RL3EIF4EKMT2A
SCHEMBL8046557 0.84 CTSS (0.35) MAPTALOX5F2RL3EIF4EKMT2A
SCHEMBL8048125 0.82 CTSK (0.41) MAPTALOX5F2RL3NPC1RAB9A
SCHEMBL8033655 0.81 EIF4E (0.34) MAPTALOX5F2RL3EIF4EKMT2A
SCHEMBL8050843 0.81 CTSS (0.38) MAPTALOX5F2RL3EIF4ECTSS
SCHEMBL8048151 0.81 F2RL3 (0.37) MAPTALOX5F2RL3RAB9ALMNA
SCHEMBL8052850 0.80 KMT2A (0.43) ALOX5RAB9AEIF4EKMT2AAR

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