SCHEMBL9572008

SCHEMBL9572008

Cc1c(C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c2ccccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 7/20 0.43
HTT P42858 4/20 0.43
POLB P06746 2/20 0.43
MITF O75030 1/20 0.43
KLF5 Q13887 1/20 0.43
NTRK1 P04629 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NSD2 O96028 4/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
THRB P10828 2/20 0.41

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
SCHEMBL9562391 0.83 NTRK1 (0.54) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL9572000 0.76 APAF1 (0.45) APAF1NPC1RAB9AMAPTLMNA
SCHEMBL245954 0.72 APAF1 (0.61) APAF1NPC1RAB9AMAPTLMNA
SCHEMBL1242685 0.72 MAPT (0.67) APAF1NPC1RAB9AMAPTLMNA
Hydrochloric Acid SCHEMBL4204888 0.71 APAF1 (0.60) APAF1NPC1RAB9AMAPTLMNA
SCHEMBL9561880 0.70 PTPRC (0.51) LMNASMN1; SMN2TDP1ALDH1A1HTT
SCHEMBL3852975 0.70 KDM4E (0.51) MAPTLMNASMN1; SMN2TDP1NPSR1
SCHEMBL14788035 0.70 MAPT (0.75) APAF1NPC1RAB9AMAPTLMNA
SCHEMBL9572015 0.69 RAB9A (0.43) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9562520 0.69 NTRK1 (0.51) MAPTLMNASMN1; SMN2NPSR1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP claimed
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP disclosed