SCHEMBL27558688

SCHEMBL27558688

CCC(=O)C(=O)Nc1scc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.61
▸ MEN1 O00255 12/20 0.61
▸ GRIN2C Q14957 1/20 0.57
▸ RAB9A P51151 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ SLC12A2 P55011 1/20 0.56
▸ SLC12A5 Q9H2X9 1/20 0.56
▸ NLRP3 Q96P20 1/20 0.56
▸ PKM P14618 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GSTO1 P78417 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL6311471 0.84 KMT2A (0.64) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL27558689 0.83 GSTO1 (0.63) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL10481224 0.81 KMT2A (0.61) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL10481226 0.79 KMT2A (0.65) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL21259064 0.78 KMT2A (0.63) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL24480003 0.78 KMT2A (0.60) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL21247164 0.77 MEN1 (0.82) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL1799720 0.77 KMT2A (0.61) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL1797300 0.77 KMT2A (0.59) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2
SCHEMBL2368666 0.76 RAB9A (0.55) KMT2AMEN1GRIN2CRAB9ASMN1; SMN2

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
CN-1300279-A Modulators of protein tyrosine phosphatases NOVO NORDISK AS (DK) 2001-06-20 — — CN disclosed
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