SCHEMBL8049844

SCHEMBL8049844

CC(C)(C)c1ccc(-n2[nH]nnc2=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 6/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX15 P16050 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
XDH P47989 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.33

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
SCHEMBL8049848 0.66 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL424728 0.62 TSHR (0.73) ALDH1A1HPGDHSD17B10TDP1ALOX15
SCHEMBL4794619 0.61 MAPK1 (0.46) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL28272655 0.61 TSHR (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL18125618 0.59 CYP2C9 (0.52) ALDH1A1KMT2ACYP1A2CYP2D6MAPT
SCHEMBL16884601 0.58 TSHR (0.52) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL19506972 0.58 TSHR (0.46) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL20178041 0.58 HSD11B1 (0.57) ALDH1A1KDM4EHSD17B10KMT2AGFER
SCHEMBL17186594 0.58 TSHR (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL24027315 0.57 CA12 (0.48) TSHR

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