SCHEMBL10447724

SCHEMBL10447724

Nc1cccc(N)c1OC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 5/20 0.38
CFTR P13569 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 5/20 0.36
CYP3A4 P08684 4/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CASP7 P55210 2/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL1552057 0.87 MAPK1 (0.41) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL10765570 0.77 MMP2 (0.41) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL1552386 0.76 KMT2A (0.32) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4385033 0.74 SMN1; SMN2 (0.49) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL5285423 0.74 ACHE (0.49) ALDH1A1HSD17B10CFTRKMT2ASMN1; SMN2
SCHEMBL27766739 0.74 THRB (0.40) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL6984237 0.73 CA2 (0.48) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL1551324 0.73 CA12 (0.41) MMP2GAAMAPTALDH1A1HSD17B10
SCHEMBL1728306 0.73 MAPK1 (0.47) GAAMAPTALDH1A1HSD17B10MEN1
Water SCHEMBL2704404 0.71 MAPK1 (0.46) GAAMAPTALDH1A1HSD17B10MEN1

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
EP-0371332-A1 Reactive dyes BAYER AG (DE) 1990-06-06 EP disclosed