SCHEMBL8567637

SCHEMBL8567637

Nc1cccc2oc(Nc3ccccc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ELANE P08246 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
GSK3B P49841 1/20 0.39
ALPG P10696 1/20 0.39

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
SCHEMBL9718845 0.82 RAB9A (0.60) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL21776904 0.81 NPC1 (0.58) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL29236644 0.78 ELANE (0.44) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL31213015 0.77 ALDH1A1 (0.54) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL1005268 0.77 NPC1 (0.54) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL2658434 0.74 NPC1 (1.00) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL33525242 0.74 IL6 (0.45) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL1003521 0.73 TOP2A (0.58) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL7109574 0.71 RAB9A (0.53) RAB9ANPC1GAASMN1; SMN2ALDH1A1
SCHEMBL31433078 0.71 RAB9A (0.53) RAB9ANPC1GAASMN1; SMN2ALDH1A1

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
WO-1998024776-A1 PREPARATION OF AN AMINOARYLAMINOARAZOLE THE DOW CHEMICAL COMPANY (US) 1998-06-11 WO disclosed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed