SCHEMBL6686243

SCHEMBL6686243

CCCCC/N=N/c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HSP90AA1 P07900 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
CETP P11597 1/20 0.38
KCNA3 P22001 1/20 0.38
EPHX1 P07099 1/20 0.38
HDAC3 O15379 1/20 0.36

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
SCHEMBL6686250 1.00 NPC1 (0.46) NPC1RAB9AMEN1KMT2AHSP90AA1
SCHEMBL3432776 0.78 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3432777 0.78 ALDH1A1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9819772 0.77 NPC1 (0.43) NPC1RAB9AMEN1KMT2AHSP90AA1
SCHEMBL10431203 0.77 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2KCNA3TDP1
SCHEMBL10431202 0.77 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2KCNA3TDP1
SCHEMBL3195894 0.77 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2KCNA3TDP1
SCHEMBL9056068 0.77 KCNH2 (0.30)
SCHEMBL3260618 0.74 MEN1 (0.41) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL3260614 0.74 MEN1 (0.41) NPC1RAB9AMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 EP disclosed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 US disclosed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
WO-2001010379-A3 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2001-11-15 WO disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed