SCHEMBL8046050

SCHEMBL8046050

S=C1N=NC(c2ccccc2Br)=N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MPI P34949 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PBRM1 Q86U86 1/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CXCR2 P25025 1/20 0.33
RAB9A P51151 4/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
NFKB1 P19838 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
SCHEMBL8046545 0.77 ALOX15 (0.33) ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL8043000 0.76 DCUN1D1 (0.42) ALDH1A1MAPK1DCUN1D1KDM4EAPOBEC3G
SCHEMBL8045296 0.76 DCUN1D1 (0.42) ALDH1A1HPGDDCUN1D1KDM4EGAA
SCHEMBL8043756 0.76 ALDH1A1 (0.42) ALDH1A1HPGDDCUN1D1KDM4EGAA
SCHEMBL8033674 0.72 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL4877279 0.70 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTHPGDDCUN1D1
SCHEMBL29215041 0.67 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTHPGDDCUN1D1
SCHEMBL31295703 0.67 ALDH1A1 (0.67) ALDH1A1MAPK1MAPTHPGDDCUN1D1
SCHEMBL358976 0.67 ALDH1A1 (0.67) ALDH1A1MAPK1MAPTHPGDDCUN1D1
SCHEMBL27987187 0.66 KMT2A (0.46) ALDH1A1MAPK1MAPTHPGDKDM4E

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 1 patent. 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