SCHEMBL8552227

SCHEMBL8552227

[CH](CCc1ccccn1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL946754 0.81 NPC1 (0.50) MEN1NPC1RAB9AKMT2AATM
SCHEMBL8670245 0.80 MEN1 (0.54) HRH1MEN1NPC1RAB9AKMT2A
SCHEMBL5263507 0.78 HRH1 (0.48) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL15525892 0.78 HRH1 (0.57) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL230753 0.76 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL29485678 0.76 HRH1 (0.73) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL349709 0.76 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL6758748 0.76 HRH1 (0.55) HRH1HRH3ALDH1A1LMNATAAR1
SCHEMBL96245 0.76 MEN1 (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL454528 0.76 MEN1 (0.54) MEN1NPC1RAB9AKMT2AATM

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