SCHEMBL14439813

SCHEMBL14439813

O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCCC4)ccc3[nH]2)cc1)C1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 3/20 0.64
KDM4E B2RXH2 4/20 0.62
TP53 P04637 2/20 0.62
PTPN1 P18031 2/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
S1PR1 P21453 1/20 0.56
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.54
FOXO1 Q12778 1/20 0.53
PDPK1 O15530 1/20 0.53
POLB P06746 2/20 0.52
PTPN2 P17706 1/20 0.51

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
SCHEMBL14305024 1.00 NR2E3 (0.64) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL6323575 0.91 NR2E3 (0.57) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL14381670 0.90 NR2E3 (0.64) NR2E3KDM4ETP53NPC1RAB9A
SCHEMBL14381733 0.90 NR2E3 (0.64) NR2E3KDM4ETP53NPC1RAB9A
SCHEMBL14381740 0.90 NR2E3 (0.56) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL14381709 0.90 NR2E3 (0.56) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL14432030 0.90 NR2E3 (0.56) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL14381686 0.89 PRSS12 (0.56) NR2E3KDM4ETP53PTPN1NPC1
SCHEMBL14381671 0.89 NR2E3 (0.65) NR2E3KDM4ETP53NPC1RAB9A
SCHEMBL14381736 0.89 PRSS12 (0.56) NR2E3KDM4ETP53PTPN1NPC1

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
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US disclosed