SCHEMBL5322920

SCHEMBL5322920

COc1ccc(Nc2ncccc2[AsH2])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
NPSR1 Q6W5P4 3/20 0.61
HTT P42858 3/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50

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
SCHEMBL28142607 0.81 RAB9A (0.64) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL31451657 0.81 RAB9A (0.61) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL2482785 0.81 RAB9A (0.61) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL35262 0.81 RAB9A (0.61) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL29384795 0.81 RAB9A (0.61) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL9402425 0.77 RAB9A (0.60) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL8835483 0.77 RAB9A (0.60) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL28142628 0.77 NR4A1 (0.59) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL7278408 0.76 RAB9A (0.80) RAB9ANPC1NPSR1HTTALDH1A1
SCHEMBL16616459 0.76 MEN1 (0.80) RAB9ANPC1NPSR1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858476-A1 METHOD FOR INCREASING THE COLOR INTENSITY OF COLORATIONS ON KERATIN-CONTAINING SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-28 EP disclosed
WO-2006097158-A1 METHOD FOR INCREASING THE COLOR INTENSITY OF COLORATIONS ON KERATIN-CONTAINING SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-09-21 WO disclosed
WO-2006032321-A1 HAIR CARE TREATMENT AGENTS CONTAINING POLYVINYL ALCOHOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-30 WO disclosed