SCHEMBL876387

SCHEMBL876387

NNC(=O)c1ccccc1-c1nc(-c2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
CAPN1 P07384 2/20 0.56
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
KDM4E B2RXH2 5/20 0.55
MAPT P10636 3/20 0.55
HPGD P15428 3/20 0.55
ALDH1A1 P00352 2/20 0.55
STAT1 P42224 1/20 0.55
GFER P55789 1/20 0.55
SMO Q99835 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 1/20 0.50
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL5968562 0.84 RAB9A (0.62) RAB9ANPC1SMN1; SMN2CAPN1KMT2A
SCHEMBL20333483 0.84 RAB9A (0.80) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4737341 0.81 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL30345390 0.80 CHRNB2 (0.65) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL1826396 0.80 CHRNB2 (0.65) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL2802437 0.79 CAPN1 (0.88) RAB9ANPC1SMN1; SMN2CAPN1KMT2A
Biphenyl SCHEMBL27596494 0.78 CHRNB2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL28475108 0.78 NR1H4 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL20333265 0.78 LMNA (0.61) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL3341157 0.77 NPC1 (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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-2619591-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
EP-2619590-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA Technische Universität Darmstadt (DE) 2013-07-31 EP disclosed
WO-2012041292-A2 COMPOUNDS FOR DIAGNOSING NEURODEGENERATIVE DISEASES AT THE RETINA KLINIKUM DARMSTADT GMBH (DE) 2012-04-05 WO disclosed
WO-2012037928-A2 COMPOUNDS FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISORDERS ON THE OLFACTORY EPITHELIUM KLINIKUM DARMSTADT GMBH (DE) 2012-03-29 WO disclosed