SCHEMBL8050397

SCHEMBL8050397

O=C(O)c1cnc(Sc2nnnn2CCc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36

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
SCHEMBL8710516 0.89 RAB9A (0.37) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8046221 0.89 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8042788 0.84 HSD17B10 (0.42) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL8033672 0.83 NPSR1 (0.39) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8033764 0.82 HTT (0.46) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8045074 0.81 RAB9A (0.41) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8044868 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8041806 0.81 KMT2A (0.38) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8042980 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8051088 0.81 NPC1 (0.45) ALDH1A1MEN1KMT2ARAB9AMAPK1

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