SCHEMBL8042227

SCHEMBL8042227

Cc1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX5 P09917 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
TRPA1 O75762 3/20 0.33
KIT P10721 2/20 0.32
PKM P14618 1/20 0.32
EIF4E P06730 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL8051863 0.86 MAPT (0.35) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8033982 0.83 KDM4E (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8046511 0.81 HTT (0.45) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8043093 0.81 SMN1; SMN2 (0.38) MAPTTDP1ALOX5F2RL3EIF4E
SCHEMBL8032747 0.79 F2RL3 (0.37) MAPTMEN1KMT2ATDP1ALOX5
SCHEMBL8033951 0.78 HTR1A (0.46) MAPTMEN1KMT2ATDP1AR
SCHEMBL8045256 0.76 MAPT (0.35) MAPTALOX5F2RL3EIF4EAR
SCHEMBL8048290 0.76 MAPT (0.35) MAPTMEN1KMT2AALOX5F2RL3
SCHEMBL8042665 0.76 MAPT (0.41) MAPTKMT2AALOX5F2RL3PKM
SCHEMBL8043006 0.76 RAB9A (0.43) MAPTMEN1KMT2ATDP1AR

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