SCHEMBL13753167

SCHEMBL13753167

C[C@H](Cc1cccs1)NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ LMNA P02545 4/20 0.68
▸ HPGD P15428 2/20 0.68
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ HTT P42858 2/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ PKM P14618 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL13753177 1.00 RAB9A (0.68) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753172 0.82 RAB9A (0.76) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13761410 0.82 RAB9A (0.76) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13761411 0.82 RAB9A (0.76) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753582 0.81 KMT2A (0.58) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753171 0.81 RAB9A (0.74) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753161 0.81 RAB9A (0.74) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753162 0.81 RAB9A (1.00) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753176 0.80 RAB9A (0.74) RAB9ANPC1LMNAHPGDMEN1
SCHEMBL13753166 0.80 RAB9A (0.74) RAB9ANPC1LMNAHPGDMEN1

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-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
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