SCHEMBL8767879

SCHEMBL8767879

CC(=O)OCCN(C)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.46
MTNR1A P48039 13/20 0.45
MTNR1B P49286 13/20 0.45
LMNA P02545 1/20 0.42
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
HTR7 P34969 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GPX4 P36969 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL9648292 0.90 MTNR1A (0.48) RAD52MTNR1AMTNR1BLMNAHSD17B1
SCHEMBL29833608 0.86 LMNA (0.44) RAD52MTNR1AMTNR1BLMNAHSD17B1
SCHEMBL8020755 0.86 LMNA (0.44) RAD52MTNR1AMTNR1BLMNAHSD17B1
SCHEMBL9716097 0.85 MTNR1A (0.48) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL28648224 0.85 MTNR1A (0.43) MTNR1AMTNR1BHSD17B1HSD17B2HTR7
SCHEMBL27776679 0.84 KDM4E (0.45) RAD52MTNR1AMTNR1BHTR7NPC1
SCHEMBL9349867 0.82 GFER (0.48) LMNANPC1ALDH1A1TP53GPX4
SCHEMBL3036233 0.82 RAD52 (0.51) RAD52MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL11746534 0.81 RAD52 (0.40) RAD52MTNR1AMTNR1BLMNAHSD17B1
SCHEMBL11670936 0.81 MTNR1A (0.47) MTNR1AMTNR1BHSD17B1HSD17B2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721973-B1 Process for the preparation of benzothiazolylazoanilines BASF AG (DE) 1997-08-27 EP disclosed
US-5597905-A Preparation of benzothiazolylazoanilines BASF AKTIENGESELLSCHAFT (DE) 1997-01-28 US disclosed
EP-0721973-A1 Process for the preparation of benzothiazolylazoanilines BASF AKTIENGESELLSCHAFT (DE) 1996-07-17 EP disclosed
US-5101021-A Disperse dyes for polyesters SANDOZ LTD. (CH) 1992-03-31 US disclosed