SCHEMBL14182722

SCHEMBL14182722

O=C(Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccn4)cc3)cc2c1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ HTT P42858 1/20 0.49
▸ KCNK3 O14649 2/20 0.48
▸ KCNK9 Q9NPC2 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ BCR P11274 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ROCK2 O75116 1/20 0.46

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
SCHEMBL14182637 1.00 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14182731 0.92 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14182751 0.91 KCNK3 (0.59) RAB9ANPC1KCNK3KCNK9NAMPT
SCHEMBL14182733 0.91 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14182750 0.91 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14182634 0.90 GRM4 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KCNK3
SCHEMBL14182640 0.89 NAMPT (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL14182777 0.85 CES1 (0.54) RAB9ANPC1MEN1KMT2AKCNK3
SCHEMBL14182876 0.85 KCNK3 (0.53) KCNK3KCNK9NAMPTPRMT5GRM4
SCHEMBL14182761 0.83 KMT2A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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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