SCHEMBL14182772

SCHEMBL14182772

O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)cc2c1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ PTPN1 P18031 2/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ ENPP3 O14638 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ ENPP1 P22413 1/20 0.46
▸ ENPP2 Q13822 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14182670 0.91 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL14182742 0.90 MAOA (0.51) ALDH1A1PTPN1NPC1RAB9AENPP3
SCHEMBL14182667 0.90 MAOA (0.51) ALDH1A1PTPN1NPC1RAB9AENPP3
SCHEMBL14182642 0.89 GRM2 (0.52) ALDH1A1NPC1RAB9AENPP3CA12
SCHEMBL14182666 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL14182744 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL14182753 0.88 KCNQ2 (0.54) ALDH1A1NPC1RAB9ATP53ALOX5
SCHEMBL14182721 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL14182655 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9ATP53MAPT
SCHEMBL14182813 0.83 CNR2 (0.44) ALDH1A1CA12CA9TP53EPHX2

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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