SCHEMBL8043610

SCHEMBL8043610

CSc1ccc(-n2nnnc2Sc2nc(C(C)(C)C)c(Br)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.39
LMNA P02545 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
HTT P42858 6/20 0.39
MAPK1 P28482 5/20 0.39
KMT2A Q03164 4/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 5/20 0.36
POLB P06746 1/20 0.34
TSHR P16473 5/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.33
PKM P14618 2/20 0.33
GAA P10253 2/20 0.32
HKDC1 Q2TB90 1/20 0.32
RAB9A P51151 2/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL8042628 0.90 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8043561 0.87 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8044786 0.86 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8051376 0.86 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8052060 0.86 MAPT (0.41) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8044801 0.84 RECQL (0.48) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8032855 0.83 PTGS2 (0.41) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8044479 0.83 SMN1; SMN2 (0.44) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8033692 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8050561 0.80 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2HTTMAPK1

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