SCHEMBL10596351

SCHEMBL10596351

CCCC(=O)Nc1ccc2nc(NC(=O)CC(C)=O)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.82
SMN1; SMN2 Q16637 7/20 0.82
LMNA P02545 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KDM4E B2RXH2 4/20 0.66
MAPK1 P28482 2/20 0.66
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
NPC1 O15118 4/20 0.64
TSHR P16473 1/20 0.64
HSD17B10 Q99714 3/20 0.63
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
LDHA P00338 2/20 0.55
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL10871541 0.91 RAB9A (0.69) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10600068 0.90 RAB9A (0.81) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10596177 0.88 RAB9A (0.81) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10871205 0.84 RAB9A (0.65) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10597936 0.83 RAB9A (0.63) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10871696 0.83 RAB9A (0.67) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL10872585 0.81 CASP3 (0.70) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10873161 0.81 MAPT (0.61) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL10348171 0.80 SMN1; SMN2 (0.66) RAB9ASMN1; SMN2LMNAKMT2AMAPT
SCHEMBL23932785 0.80 LDHA (0.74) RAB9ASMN1; SMN2LMNAMAPTKDM4E

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-0138761-B1 PROCESS FOR THE PIGMENTATION OF MACROMOLECULAR ORGANIC MATERIALS CIBA-GEIGY AG (CH) 1989-03-22 EP disclosed
US-4602961-A MONOAZO BENZOTHIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-07-29 US disclosed
EP-0138761-A2 Process for the pigmentation of macromolecular organic materials CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed