SCHEMBL11078736

SCHEMBL11078736

O=C(O)c1cccc(NC(=O)c2cnccn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.74
▸ NPC1 O15118 9/20 0.68
▸ SMN1; SMN2 Q16637 7/20 0.68
▸ HPGD P15428 1/20 0.68
▸ MAPT P10636 3/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ CTDSP1 Q9GZU7 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ KMT2A Q03164 4/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ KCNK3 O14649 2/20 0.58
▸ KCNK9 Q9NPC2 1/20 0.58
▸ HTT P42858 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ SIRT2 Q8IXJ6 1/20 0.54
▸ SIRT1 Q96EB6 1/20 0.54
▸ SIRT3 Q9NTG7 1/20 0.54

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
SCHEMBL11087870 0.84 KCNK3 (0.81) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1452104 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3461653 0.83 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12010995 0.82 RAB9A (0.64) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL259290 0.82 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10940026 0.81 KCNK3 (0.81) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2105310 0.80 KCNK3 (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2228108 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL27701359 0.78 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL11083807 0.78 KCNK3 (0.82) RAB9ASMN1; SMN2POLBL3MBTL1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439444-A HISTAMINE RECEPTOR ANTAGONISTS SANOFI (FR) 1984-03-27 — — US disclosed
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