SCHEMBL6472822

SCHEMBL6472822

O=C(Nc1ccncc1)c1cccc2c1c1ccccc1n2OCCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDR P35968 1/20 0.41
CCR1 P32246 1/20 0.41
JAK2 O60674 2/20 0.40
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL6471457 0.89 JAK2 (0.41) HTTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6470693 0.87 HTT (0.44) HTTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6473039 0.84 PDE4B (0.44) CCR1
SCHEMBL6471041 0.80 CYP11B2 (0.48)
SCHEMBL6470721 0.78 TYK2 (0.51) HTTKMT2AMEN1NPC1ALDH1A1
SCHEMBL6471016 0.76 PDE4B (0.42) CCR1
SCHEMBL6470724 0.76 PDE4B (0.41) CCR1
SCHEMBL6255147 0.74 TUBB4A (0.56) KMT2AMEN1NPC1ALDH1A1HPGD
SCHEMBL6471771 0.73 CNR1 (0.41) KMT2ANPC1ALDH1A1HPGDRAB9A
SCHEMBL5016560 0.72 MAPT (0.49) HTTKMT2AMEN1ALDH1A1RAB9A

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