SCHEMBL18779843

SCHEMBL18779843

O=S(=O)(O)CCCN1c2ccccc2SC2C=CC=CC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ POLB P06746 5/20 0.37
▸ MMP13 P45452 4/20 0.37
▸ ALOX15 P16050 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TDP1 Q9NUW8 4/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CTDSP1 Q9GZU7 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ ALPG P10696 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL15304786 0.81 — —
SCHEMBL15305673 0.79 — —
SCHEMBL3326021 0.78 MEN1 (0.42) MAPTMEN1KMT2APOLBMMP13
SCHEMBL28511883 0.78 MEN1 (0.40) MAPTMEN1KMT2APOLBMMP13
SCHEMBL21319396 0.78 CYP2D6 (0.48) MAPTMEN1KMT2APOLBALDH1A1
Sulfuric Acid SCHEMBL28528641 0.77 MEN1 (0.39) MAPTMEN1KMT2APOLBMMP13
SCHEMBL27056141 0.77 KDM1A (0.39) —
SCHEMBL27056130 0.76 POLB (0.38) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL15494050 0.75 MEN1 (0.40) MAPTMEN1KMT2APOLBMMP13
SCHEMBL19759877 0.74 ALDH1A1 (0.33) ALDH1A1

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-9632034-B2 Fluorogenic and chromogenic substrate LI-COR, INC. (US) 2017-04-25 — — US disclosed
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