SCHEMBL8042810

SCHEMBL8042810

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 3/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 2/20 0.40
NFE2 Q16621 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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 0.91 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8051515 0.89 HPGD (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8048023 0.89 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8042315 0.89 KMT2A (0.46) ALDH1A1KMT2AMEN1RXFP1MAPT
SCHEMBL8048593 0.88 CYP1A2 (0.52) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8043280 0.88 MAPT (0.41) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8050355 0.87 MAPT (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL8043891 0.85 PTGS2 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8716341 0.85 HPGD (0.45) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL8042692 0.84 POLB (0.46) ALDH1A1KMT2AMEN1MAPTLMNA

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