SCHEMBL11100769

SCHEMBL11100769

Nc1ccc(OCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
NOTUM Q6P988 2/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56

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
SCHEMBL11309378 0.94 MAPT (0.63) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL11439450 0.94 NPC1 (0.71) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL3498895 0.88 LMNA (0.78) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL4625605 0.86 NPC1 (0.55) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL15226896 0.85 LMNA (0.65) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL31503975 0.84 LMNA (0.78) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL7513074 0.84 KMT2A (0.75) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL19134267 0.84 HIF1A (0.72) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL9868789 0.83 NPC1 (0.70) LMNANPC1RAB9ANOTUMMAPK1
SCHEMBL6966850 0.83 CYP1A2 (0.68) LMNANPC1RAB9AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
EP-0038439-B1 DYESTUFF MIXTURES, METHOD FOR THEIR PREPARATION, THE COMPONENT DYESTUFFS AND THEIR USE IN DYEING AND PRINTING SYNTHETIC, HYDROPHOBIC FIBRE MATERIAL CASSELLA Aktiengesellschaft (DE) 1983-05-04 EP disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed
US-4277559-A FOR MASKING UNWANTED BLUE ABSORPTION OF MAGENTA DYES WITHOUT PRODUCING EXCESSIVE FOG AGFA-GEVAERT N.V. (BE) 1981-07-07 US disclosed
US-4201707-A Methine dyestuffs containing a phenyl azo group BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4156086-A INTERMEDIATES FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4138570-A METHINE DYE BAYER AKTIENGESELLSCHAFT (DE) 1979-02-06 US disclosed
US-4038268-A DIAZOTIZATION, COUPLING BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4006128-A CELLULOSE ACETATES, VINYL POLYMERS, POLYOLEFINS, POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 US disclosed