SCHEMBL8044880

SCHEMBL8044880

Cn1cnnc1Sc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.39
CBLB Q13191 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
ALOX15 P16050 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
SCHEMBL8042522 0.79 MAPT (0.36) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8051249 0.79 RAB9A (0.35) HSD17B10ALDH1A1KDM4EMAPTTDP1
SCHEMBL8034259 0.77 MAPT (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8033927 0.75 NPSR1 (0.40) HSD17B10ALDH1A1MEN1KMT2AMAPT
SCHEMBL8044639 0.75 HDAC6 (0.49) L3MBTL1HSD17B10ALDH1A1KDM4EMEN1
SCHEMBL8043035 0.75 MAPT (0.33) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL8033964 0.75 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL8043559 0.74 MAPT (0.34) ALDH1A1MAPTPOLB
SCHEMBL8037035 0.74 CYP1A2 (0.34) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL8043580 0.74 HTT (0.43) HSD17B10ALDH1A1MEN1KMT2AMAPT

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