SCHEMBL8042845

SCHEMBL8042845

Clc1cnc(Sc2nnnn2-c2ccc(Br)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
TSHR P16473 6/20 0.42
TP53 P04637 5/20 0.42
HSD17B10 Q99714 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.42
JAK2 O60674 1/20 0.41
TLR9 Q9NR96 1/20 0.41
LMNA P02545 8/20 0.41
HTT P42858 6/20 0.41
KDM1A O60341 2/20 0.41
PKM P14618 3/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL8043646 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8044972 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8044841 0.84 KDM4E (0.49) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8042672 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8046903 0.83 HPGD (0.50) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8032741 0.82 PTGS2 (0.48) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8044847 0.82 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8050406 0.81 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10
SCHEMBL8042658 0.81 KMT2A (0.42) ALDH1A1SMN1; SMN2TP53HSD17B10MAPT
SCHEMBL8045990 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRTP53HSD17B10

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