SCHEMBL9566918

SCHEMBL9566918

Nc1ccccc1Sc1ccc(C(=O)OC(=O)c2ccc(Sc3ccccc3N)c3cccc(C(=O)O)c23)c2c(C(=O)O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.40
PKM P14618 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDC25B P30305 1/20 0.39
MMP2 P08253 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 3/20 0.36
GFER P55789 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL6153265 0.83 GFER (0.42) KDM4EALDH1A1TDP1LMNAPKM
SCHEMBL11835677 0.80 KDM4E (0.54) KDM4EALDH1A1TDP1LMNARAB9A
SCHEMBL11352754 0.77 PKM (0.49) KDM4EALDH1A1TDP1RAB9APKM
SCHEMBL8989325 0.76 NR4A1 (0.50) KDM4EALDH1A1TDP1RAB9ARXFP1
SCHEMBL8528173 0.75 SIRT1 (0.49) ALDH1A1RAB9APKMRXFP1CDC25B
SCHEMBL2032649 0.74 KDM4E (0.71) KDM4EALDH1A1TDP1LMNARAB9A
SCHEMBL2804186 0.74 CYP1A2 (0.48) KDM4EALDH1A1TDP1RXFP1CDC25B
Hydrochloric Acid SCHEMBL2909102 0.73 KDM4E (0.69) KDM4EALDH1A1TDP1LMNARAB9A
SCHEMBL11835668 0.72 KDM4E (0.51) KDM4EALDH1A1TDP1LMNARAB9A
SCHEMBL1133920 0.72 G6PD (0.41) KDM4EALDH1A1TDP1PKMRXFP1

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-0570778-A1 Process for the preparation of 4-(2-aminophenylthio)-naphthalene 1-8 dicarboxylic acid anhydride derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-24 EP disclosed