SCHEMBL8552540

SCHEMBL8552540

CNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
LMNA P02545 5/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
ADRB2 P07550 1/20 0.47
NOD2 Q9HC29 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
RECQL P46063 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 4/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 2/20 0.44

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
Ammonia Solution, Strong SCHEMBL8550166 0.80 ALDH1A1 (0.51) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1745085 0.76 MAOA (0.62) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL3337610 0.75 KMT2A (0.59) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12643697 0.72 MAPT (1.00) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL12491432 0.71 MAPT (0.61) MAPTRAB9AKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL28805026 0.71 XDH (0.55) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1459521 0.70 KDM4E (0.49) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1458965 0.70 CHRNB2 (0.51) MAPTRAB9AKMT2AMEN1LMNA
SCHEMBL4311452 0.70 SMN1; SMN2 (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL2209951 0.69 ACHE (0.46) MAPTRAB9ANPC1KMT2AMEN1

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
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed