SCHEMBL14182731

SCHEMBL14182731

O=C(Nc1ccc(-c2cc3cc(NC(=O)c4cccnc4)ccc3[nH]2)cc1)c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.60
▸ NPC1 O15118 8/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ ROCK2 O75116 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ KCNK3 O14649 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ LMNA P02545 2/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ HTT P42858 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
SCHEMBL14182750 0.97 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182733 0.97 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182637 0.92 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182722 0.92 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182761 0.90 KMT2A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182749 0.88 TP53 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182730 0.88 TP53 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182696 0.88 TP53 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182631 0.88 TP53 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14182655 0.87 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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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