SCHEMBL8042297

SCHEMBL8042297

CCc1ccccc1-n1nnnc1Sc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.40
KMT2A Q03164 5/20 0.40
MAPK1 P28482 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 2/20 0.37
MEN1 O00255 4/20 0.36
KCNN4 O15554 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 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
SCHEMBL8044620 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8043982 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8713628 0.83 ALDH1A1 (0.35) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8042593 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8042021 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8032703 0.80 KMT2A (0.44) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8048329 0.80 MAPT (0.36) ALDH1A1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8033650 0.80 ALDH1A1 (0.34) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8043090 0.80 MAPT (0.35) ALDH1A1KMT2AMAPK1MAPTHTT
SCHEMBL8033964 0.80 SMN1; SMN2 (0.39) ALDH1A1KMT2AMAPTHTTLMNA

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