SCHEMBL8047788

SCHEMBL8047788

Cc1cc(-n2nnnc2Sc2ncc(S(C)(=O)=O)s2)sc1C

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.31
TP53 P04637 5/20 0.31
ALDH1A1 P00352 5/20 0.31
MAPT P10636 4/20 0.31
MAPK1 P28482 4/20 0.31
HTT P42858 4/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
KMT2A Q03164 3/20 0.31
HSD17B10 Q99714 3/20 0.31
TSHR P16473 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
GAA P10253 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8041889 0.83 LMNA (0.33) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8034482 0.81 ALDH1A1 (0.36) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8042545 0.80 ALDH1A1 (0.36) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8045200 0.80 ALDH1A1 (0.33) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8046585 0.80 RXRA (0.43) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8032341 0.79 NPC1 (0.46) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8048309 0.78 ALDH1A1 (0.52) LMNATP53ALDH1A1MAPTMAPK1
SCHEMBL8046664 0.77 CA12 (0.42) LMNATP53ALDH1A1HTTSMN1; SMN2
SCHEMBL8044381 0.77 ALDH1A1 (0.36) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8033933 0.77 MITF (0.39) LMNATP53ALDH1A1MAPTMAPK1

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