SCHEMBL8043280

SCHEMBL8043280

CN(C)c1ccc(-n2nnnc2Sc2ncc(NC(=O)c3ccccc3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 3/20 0.39
KCNK3 O14649 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
EP300 Q09472 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8050828 0.90 ALDH1A1 (0.48) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8051515 0.89 HPGD (0.49) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8048023 0.88 ALDH1A1 (0.42) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8042810 0.88 ALDH1A1 (0.43) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8042315 0.88 KMT2A (0.46) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8048593 0.87 CYP1A2 (0.52) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8050355 0.86 MAPT (0.44) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8716341 0.84 HPGD (0.45) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8043891 0.84 PTGS2 (0.46) MAPTALDH1A1KMT2AHTTLMNA
SCHEMBL8042692 0.83 POLB (0.46) MAPTALDH1A1KMT2AHTTLMNA

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed