SCHEMBL8619688

SCHEMBL8619688

Cc1ccccc1N=C1NCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
PAX8 Q06710 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HSD11B1 P28845 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 3/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL8623385 0.84 MAPT (0.39) USP2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5151452 0.81 USP2 (0.31) USP2
Bromide SCHEMBL11353328 0.80 USP2 (0.30) USP2
SCHEMBL8627285 0.78 TAAR1 (0.38) HSD11B1
SCHEMBL10831788 0.77 POLB (0.39) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL11370552 0.76 ALDH1A1 (0.47) LMNANPC1RAB9ATP53ALDH1A1
SCHEMBL11364210 0.75 NPC1 (0.50) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11088921 0.75 LRRK2 (0.41) USP2LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2525625 0.75 L3MBTL1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL10880827 0.75 RECQL (0.44) LMNANPC1MEN1KMT2AALDH1A1

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
US-5708015-A SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN (US) 1998-01-13 US disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed