SCHEMBL8863179

SCHEMBL8863179

CCN(CC)CC.COc1ccc2c(c1)N(CCC(C)S(=O)(=O)O)/C(=C1\SC(=S)N(CCO)C1=O)S2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 16/20 0.56
▸ MEN1 O00255 15/20 0.56
▸ HSD17B10 Q99714 4/20 0.49
▸ CASP1 P29466 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CASP7 P55210 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ RXFP1 Q9HBX9 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8863180 1.00 KMT2A (0.56) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8863253 0.86 MEN1 (0.62) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8863247 0.86 MEN1 (0.62) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL14273146 0.85 KMT2A (0.70) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8520497 0.81 MEN1 (0.65) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8863150 0.80 MEN1 (0.58) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8863153 0.80 MEN1 (0.58) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL10999670 0.75 MEN1 (0.72) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL9651086 0.75 MEN1 (0.72) KMT2AMEN1HSD17B10CASP1LMNA
SCHEMBL8863662 0.73 MEN1 (0.86) KMT2AMEN1HSD17B10CASP1LMNA

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-5665887-A Methine compound FUJI PHOTO FILM CO., LTD. (JP) 1997-09-09 — — US disclosed
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