SCHEMBL5451730

SCHEMBL5451730

Cc1ccccc1C(=O)NC(=S)Nc1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.75
RAB9A P51151 7/20 0.75
NPSR1 Q6W5P4 2/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 8/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 2/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
THRB P10828 1/20 0.59
KMT2A Q03164 6/20 0.56
MAPT P10636 3/20 0.56
ALOX12 P18054 2/20 0.56
MEN1 O00255 4/20 0.56
STAT1 P42224 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL5456403 0.86 RAB9A (1.00) NPC1RAB9ANPSR1ALDH1A1LMNA
SCHEMBL13162953 0.85 MEN1 (0.69) NPC1RAB9APKMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL30416720 0.84 MEN1 (0.67) NPC1RAB9APKMALDH1A1KDM4E
SCHEMBL14859988 0.81 RAB9A (0.79) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL2682648 0.80 RAB9A (1.00) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL2681235 0.79 LMNA (0.70) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL28572242 0.79 NPSR1 (0.60) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL5455495 0.78 ALDH1A1 (0.72) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL14859928 0.76 RAB9A (0.75) NPC1RAB9ANPSR1PKMALDH1A1
SCHEMBL27474427 0.75 NPC1 (0.63) NPC1RAB9APKMALDH1A1KDM4E

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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed