SCHEMBL9644142

SCHEMBL9644142

N#CC(NC(=O)c1ccco1)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CTSL P07711 1/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
AGTR1 P30556 1/20 0.46
RAB9A P51151 1/20 0.45
RCE1 Q9Y256 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL10922453 0.83 SMN1; SMN2 (0.46) ALDH1A1KMT2AMEN1CTSLSMN1; SMN2
SCHEMBL9345773 0.81 KMT2A (0.42) ALDH1A1KMT2AMEN1CTSLTP53
SCHEMBL10921927 0.79 CYP1A2 (0.48) ALDH1A1KMT2AMEN1CTSLSMN1; SMN2
SCHEMBL10924508 0.79 POLB (0.40) ALDH1A1KMT2ASMN1; SMN2POLB
SCHEMBL10410589 0.77 LMNA (0.41) ALDH1A1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL9645999 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL10719844 0.76 HDAC1 (0.47) ALDH1A1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL10412346 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TP53SMN1; SMN2
SCHEMBL9533252 0.74 HTT (0.35) ALDH1A1KMT2AMEN1CTSLTP53
SCHEMBL10929658 0.74 HDAC8 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104886-A Syntergistic mixtures of amide substituted thiazoles and other fungicides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-14 US disclosed
EP-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed
US-4792565-A Pyrazolecarbonylamine derivatives and agricultural and horticultural fungicides containing said compounds MITSUI TOATSU CHEMICALS, INC. (JP) 1988-12-20 US disclosed