SCHEMBL8046748

SCHEMBL8046748

CC(C)(C)c1ccc(-n2nnnc2Sc2nc(C(F)(F)F)c(C(=O)O)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 4/20 0.35
EP300 Q09472 1/20 0.35
MEN1 O00255 3/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
POLB P06746 3/20 0.34
KDM4E B2RXH2 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
NFE2 Q16621 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
SCHEMBL8049019 0.89 RECQL (0.47) RECQLALDH1A1KMT2AHTTMAPK1
SCHEMBL8043982 0.89 ALDH1A1 (0.47) ALDH1A1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL8042019 0.88 ALDH1A1 (0.39) RECQLALDH1A1KMT2AHTTMAPK1
SCHEMBL8048227 0.88 SMN1; SMN2 (0.48) RECQLALDH1A1KMT2AHTTMAPK1
SCHEMBL8048302 0.88 KMT2A (0.39) RECQLALDH1A1KMT2AHTTMAPK1
SCHEMBL8045202 0.87 ALDH1A1 (0.39) RECQLALDH1A1KMT2AHTTMAPK1
SCHEMBL8051728 0.84 CA1 (0.44)
SCHEMBL8047493 0.84 CYP1A2 (0.40) ALDH1A1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL8032703 0.83 KMT2A (0.44) ALDH1A1KMT2AHTTMAPK1SMN1; SMN2
SCHEMBL8033914 0.81 POLB (0.43) ALDH1A1KMT2AHTTMAPK1SMN1; SMN2

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