SCHEMBL8042855

SCHEMBL8042855

S=C1N=NC(c2cccc(Br)c2)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 3/20 0.45
ALOX15 P16050 2/20 0.45
HPGD P15428 2/20 0.45
GAA P10253 2/20 0.45
DCUN1D1 Q96GG9 2/20 0.45
ALOX12 P18054 1/20 0.45
MPI P34949 1/20 0.45
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 4/20 0.41
TSHR P16473 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL8046152 0.80 CHRNB4 (0.31) CHRNB4CHRNA3
SCHEMBL8047366 0.78 TAAR1 (0.40) KDM4ERXFP1APOBEC3GMEN1KMT2A
SCHEMBL8041917 0.74 CTSS (0.44) HSD17B10KDM4ENPC1TSHRMAPK1
SCHEMBL8033685 0.71 LMNA (0.48) ALDH1A1GAANPC1TSHRRAB9A
SCHEMBL8046545 0.70 ALOX15 (0.33) ALDH1A1ALOX15MAPK1
SCHEMBL312091 0.70 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15HPGDGAA
SCHEMBL29546450 0.70 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15HPGDGAA
SCHEMBL577441 0.69 RAB9A (0.42) ALDH1A1HSD17B10ALOX15HPGDGAA
SCHEMBL29398919 0.67 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX15HPGDGAA
SCHEMBL15624388 0.67 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX15HPGDGAA

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