SCHEMBL14182790

SCHEMBL14182790

O=C(CNc1ccc(-c2cc3ccc(NC(=O)C4CCCCC4)cc3[nH]2)cc1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ITK Q08881 4/20 0.51
▸ GRM4 Q14833 1/20 0.48
▸ TP53 P04637 1/20 0.45
▸ NR2E3 Q9Y5X4 2/20 0.43
▸ SLC2A1 P11166 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ RXFP2 Q8WXD0 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CLK2 P49760 2/20 0.41
▸ CLK3 P49761 2/20 0.41

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
SCHEMBL14183006 0.89 GRM4 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14183007 0.89 GRM4 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182998 0.89 GRM4 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182810 0.88 RAB9A (0.40) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182798 0.88 GRM4 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182795 0.88 GRM4 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182794 0.87 KDR (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL14182788 0.84 ITK (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182789 0.84 ITK (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL14182802 0.82 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E

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-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 — — US disclosed
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