SCHEMBL9323577

SCHEMBL9323577

N=C(N)NCCC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
NR4A2 P43354 1/20 0.52
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TRPA1 O75762 1/20 0.48

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
SCHEMBL29149700 0.84 CA12 (0.51) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL8003077 0.83 MAPT (0.54) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL22982704 0.82 MAPT (0.58) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL10938767 0.81 LMNA (0.61) KMT2AHPGDSMN1; SMN2LMNAHDAC1
SCHEMBL5592824 0.81 PRSS1 (0.68) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL10523300 0.79 NR4A2 (0.59) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL30662627 0.79 SMN1; SMN2 (0.54) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL11776576 0.79 ALDH1A1 (0.55) MAPTTDP1MAPK1KMT2AKDM4E
SCHEMBL11981651 0.79 NPC1 (0.60) SMN1; SMN2LMNAALDH1A1HDAC1HDAC8
SCHEMBL9744775 0.78 TDP1 (0.62) MAPTTDP1MAPK1KMT2AKDM4E

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
US-5376685-A Arylhydrazones using as SAMDC inhibitors CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
US-5238941-A S-adenosylmethionine decarboxylase inhibitors CIBA-GEIGY CORPORATION (US) 1993-08-24 US disclosed
EP-0335832-B1 ARYL HYDRAZONES CIBA-GEIGY AG (CH) 1993-02-10 EP disclosed
US-5118709-A Decarboxylase enzyme inhibitors; antitumor agents CIBA-GEIGY CORPORATION (US) 1992-06-02 US disclosed
US-4971986-A ANTITUMOR AGENTS CIBA-GEIGY CORPORATION (US) 1990-11-20 US disclosed
EP-0335832-A2 Aryl hydrazones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed