SCHEMBL10786670

SCHEMBL10786670

CCN(CC)CC.CCN1C(=O)C(=C2Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 1.00
▸ KMT2A Q03164 14/20 1.00
▸ HPGD P15428 4/20 1.00
▸ ALOX15 P16050 3/20 1.00
▸ ALOX12 P18054 3/20 1.00
▸ CASP1 P29466 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ CASP7 P55210 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ POLB P06746 8/20 0.91
▸ MAPT P10636 8/20 0.91
▸ MMP13 P45452 4/20 0.91
▸ CTDSP1 Q9GZU7 2/20 0.81
▸ RXFP1 Q9HBX9 1/20 0.81
▸ ALDH1A1 P00352 7/20 0.71
▸ TDP1 Q9NUW8 4/20 0.71
▸ PKM P14618 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ MAPK1 P28482 3/20 0.57
▸ ALPG P10696 2/20 0.57

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
SCHEMBL9858108 0.95 MEN1 (1.00) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL9858105 0.95 MEN1 (1.00) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL8863662 0.93 MEN1 (0.86) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL8863661 0.93 MEN1 (0.86) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL6264761 0.85 MEN1 (0.81) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL11207327 0.85 MEN1 (0.81) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL10713249 0.84 MEN1 (0.79) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL11598532 0.81 MEN1 (0.68) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL11598535 0.81 MEN1 (0.68) MEN1KMT2AHPGDALOX15ALOX12
SCHEMBL194201 0.81 MEN1 (0.78) MEN1KMT2AHPGDALOX15ALOX12

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-4680255-A Emulsions and photographic elements containing silver halide grains having tetrahexahedral crystal faces EASTMAN KODAK COMPANY (US) 1987-07-14 — — US disclosed
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