SCHEMBL6470693

SCHEMBL6470693

O=C(Nc1ccncc1)c1cccc2c1c1ccccc1n2OCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 3/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
JAK2 O60674 3/20 0.40
TYK2 P29597 2/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ADRB2 P07550 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 2/20 0.39
CHRNA7 P36544 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL6472822 0.87 HTT (0.44) HTTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL6470748 0.84 PDE4B (0.46)
SCHEMBL6470711 0.82 LMNA (0.40) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL6470721 0.80 TYK2 (0.51) HTTSMN1; SMN2ALDH1A1POLBALOX15
SCHEMBL6472450 0.78 PDE4B (0.44)
SCHEMBL6471457 0.77 JAK2 (0.41) HTTSMN1; SMN2KDM4EALDH1A1ALOX15
SCHEMBL6471771 0.75 CNR1 (0.41) SMN1; SMN2HIF1ALMNAALDH1A1HSD17B10
SCHEMBL6473039 0.71 PDE4B (0.44)
SCHEMBL6471041 0.68 CYP11B2 (0.48)
SCHEMBL5025196 0.67 HIF1A (0.52) HTTSMN1; SMN2KDM4EHIF1ALMNA

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-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed