SCHEMBL6494258

SCHEMBL6494258

CC(C)(C)c1cc(Cl)nc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PRKCZ Q05513 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL21826460 0.86 LMNA (0.61) NPC1RAB9ALMNAADORA3NR1H2
SCHEMBL6493882 0.84 KDM4E (0.54) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL6494415 0.83 NPC1 (0.42) NPC1RAB9ANR1H4ADORA3NR1H2
SCHEMBL3166068 0.80 NPC1 (0.58) NPC1RAB9ALMNANR1H4ADORA3
SCHEMBL18015609 0.76 KDM4E (0.40) NPC1RAB9AADORA3KDM4EALDH1A1
SCHEMBL5480432 0.76 KIF11 (0.45) NPC1RAB9ALMNAKDM4EALDH1A1
SCHEMBL23624571 0.73 NPC1 (0.60) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL24910446 0.73 LMNA (0.33) LMNAHSD17B10SMN1; SMN2KMT2AHRH4
SCHEMBL7375735 0.72 LMNA (0.57) NPC1RAB9ALMNANR1H4ADORA3
SCHEMBL13020884 0.72 KMT2A (0.46) LMNANR1H2NR1H3ALDH1A1HSD17B10

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-6844347-B1 Cyclic guanosine monophosphate modulators; cardiovascular diseases; guanylate cyclase activation AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-18 US disclosed
EP-1112266-B1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA GMBH (DE) 2003-05-14 EP disclosed
EP-1112266-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME Aventis Pharma Deutschland GmbH (DE) 2001-07-04 EP disclosed
WO-2000009496-A1 SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-02-24 WO disclosed