SCHEMBL7977917

SCHEMBL7977917

C=C(C(=O)O)c1cncs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
NAMPT P43490 1/20 0.31
ABL1 P00519 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM5 P41594 1/20 0.31
GRM4 Q14833 1/20 0.31
FFAR1 O14842 1/20 0.30

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
Hydrochloric Acid SCHEMBL26978407 0.76 KMT2A (0.44) KMT2APIK3CDALDH1A1HSP90AA1MAPT
SCHEMBL8866018 0.75 HDAC8 (0.40) KMT2APIK3CDHDAC8GRM4
SCHEMBL1556668 0.74 KMT2A (0.39) KMT2AALDH1A1IDO1TDO2NAMPT
Hydrazine SCHEMBL28241715 0.74 KMT2A (0.43) KMT2APIK3CDALDH1A1PKMHDAC8
SCHEMBL27983255 0.71
SCHEMBL10715836 0.71
Formic Acid SCHEMBL28287308 0.71 KMT2A (0.41) KMT2APIK3CDALDH1A1HSP90AA1MAPT
Water SCHEMBL23727754 0.70
SCHEMBL27926586 0.70
Hydrochloric Acid SCHEMBL28317604 0.70 KMT2A (0.43) KMT2APIK3CDALDH1A1MAPTHDAC8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5112545-A None JP disclosed
US-6277871-B1 ANTICANCER AGENTS ABBOTT LABORATORIES 2001-08-21 US disclosed
EP-0509857-B1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
JP-H05112545-A NEW ALPHA-METHYLENE-5-THIAZOLACETIC ACID DERIVATIVE, ITS PREPARATION AND INTERMEDIATE THEREOF, ITS USE AS DISINFECTANT AND COMPOSITION CONTAINING THE SAME ROUSSEL UCLAF 1993-05-07 JP disclosed
EP-0509857-A1 Alpha-methylene 5-thiazolo acetic acid derivatives, intermediates and process of preparation, their use as fungicides and compositions containing them ROUSSEL UCLAF (FR) 1992-10-21 EP disclosed
US-3844798-A SPECTRALLY SENSITIZED LIGHT-SENSITIVE SILVER HALIDE PHOTOGRAPHIC MATERIAL AGFA GEVAERT AG 1974-10-29 US disclosed