SCHEMBL13871237

SCHEMBL13871237

Nc1ccc2c(c1)C(=O)c1ccccc1SC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK14 Q16539 4/20 0.49
PTPRC P08575 2/20 0.46
MEN1 O00255 2/20 0.46
BLM P54132 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
PLA2G1B P04054 1/20 0.46

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
SCHEMBL4231216 0.84 MAPK14 (0.62) NPC1ALDH1A1RAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL4232797 0.83 MAPK14 (0.61) NPC1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL31510701 0.81 ACHE (0.59) ALDH1A1SMN1; SMN2TDP1MAPK14MEN1
SCHEMBL86279 0.81 ACHE (0.59) ALDH1A1SMN1; SMN2TDP1MAPK14MEN1
SCHEMBL31123671 0.81 ACHE (0.59) ALDH1A1SMN1; SMN2TDP1MAPK14MEN1
SCHEMBL86282 0.81 AKR1B1 (0.46) TDP1MAPK14AKR1B1MAPTACHE
SCHEMBL86333 0.81 AKR1B1 (0.46) ALDH1A1SMN1; SMN2TDP1MAPK1MAPK14
SCHEMBL86330 0.81 TDP1 (0.59) TDP1MAPK1MAPK14PTPRCS100A4
SCHEMBL86191 0.81 ELANE (0.51) ALDH1A1SMN1; SMN2TDP1TP53MAPK14
SCHEMBL86749 0.81 MAOB (0.54) MAPK14MEN1KMT2AHPGDS100A4

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-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed