SCHEMBL9572000

SCHEMBL9572000

Cc1[nH]c2ccccc2c1C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 8/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
CCR6 P51684 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
KLF5 Q13887 1/20 0.43
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCH P24723 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42

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
SCHEMBL9561901 0.81 CCR6 (0.56) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9561922 0.76 CCR6 (0.51) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9572008 0.76 APAF1 (0.45) APAF1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9572023 0.75 MEN1 (0.51) APAF1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9572001 0.75 PTPRC (0.50) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL9562597 0.74 PTPRC (0.59) CCR6HKDC1GAAIMPDH2
SCHEMBL245954 0.72 APAF1 (0.61) APAF1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1242685 0.72 MAPT (0.67) APAF1NPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4204888 0.71 APAF1 (0.60) APAF1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9572005 0.70 CCR6 (0.45) NPC1RAB9AMAPTSMN1; SMN2LMNA

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