SCHEMBL3347940

SCHEMBL3347940

Nc1ccc(Cl)cc1NC(=O)CCN1CCc2nc3ccccc3c(C(=O)O)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.47
▸ POLB P06746 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TERT O14746 2/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL2443247 0.87 ALDH1A1 (0.55) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL3348041 0.79 POLB (0.63) MAPTSMN1; SMN2HTTALDH1A1POLB
SCHEMBL31666079 0.76 ALDH1A1 (0.48) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL26098464 0.76 ALDH1A1 (0.48) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL14480641 0.76 LMNA (0.56) MAPTSMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL31666080 0.75 TDP1 (0.56) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL26100476 0.75 TDP1 (0.56) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL31666083 0.74 ALDH1A1 (0.56) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL26098455 0.74 ALDH1A1 (0.56) MAPTSMN1; SMN2HTTKMT2ANPC1
SCHEMBL12301081 0.74 KMT2A (0.70) MAPTSMN1; SMN2HTTKMT2ANPC1

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
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — WO disclosed
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