SCHEMBL11243891

SCHEMBL11243891

CN(NC(=O)c1ccccc1OCC(=O)O)C(=S)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
PKM P14618 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.47
MCL1 Q07820 1/20 0.46
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
GBA1 P04062 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL7105901 0.80 SGMS2 (0.70) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL11067057 0.79 ALDH1A1 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11063142 0.79 KMT2A (0.47) MEN1KMT2ASMN1; SMN2KDM4EMAPT
Ammonia Solution, Strong SCHEMBL11230287 0.78 ALDH1A1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11244383 0.78 ALDH1A1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Ammonia Solution, Strong SCHEMBL11230292 0.78 ALDH1A1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11063673 0.77 MASP2 (0.44) MEN1KMT2ASMN1; SMN2KDM4EMAPT
Potassium Ion SCHEMBL11244388 0.76 ALDH1A1 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11074428 0.75 ALDH1A1 (0.47) KMT2ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL11185293 0.74 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2KDM4EMAPT

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
EP-0009324-B1 SUBSTITUTED 1-BENZOYL-3-THIOSEMICARBAZIDES, THEIR MANUFACTURE AND USE AS PLANT GROWTH REGULANTS, AND AGRICULTURAL FORMULATIONS COMPRISING THEM Gulf Oil Corporation (US) 1982-07-21 EP claimed