SCHEMBL14182802

SCHEMBL14182802

O=C(CNc1ccc(-c2cc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ CNR2 P34972 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
SCHEMBL14183000 0.89 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182796 0.87 RAB9A (0.44) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182794 0.85 KDR (0.46) KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL14182801 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182790 0.82 SMN1; SMN2 (0.52) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182635 0.82 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182645 0.82 RAB9A (0.52) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14183003 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182800 0.82 RAB9A (0.38) ALDH1A1KDM4ETP53HPGDRAB9A
SCHEMBL14182804 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ETP53HPGDRAB9A

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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