SCHEMBL8814916

SCHEMBL8814916

Cc1cccc(NC(=O)c2ccccc2-c2ccncc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.80
▸ ALDH1A1 P00352 4/20 0.64
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ PKM P14618 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ KCNK3 O14649 3/20 0.56
▸ KCNK9 Q9NPC2 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 1/20 0.56
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ NT5E P21589 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TYK2 P29597 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ FLT1 P17948 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
SCHEMBL8817725 0.84 ALDH1A1 (0.64) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12900891 0.81 L3MBTL1 (0.84) L3MBTL1ALDH1A1KMT2AMEN1KCNK3
SCHEMBL259421 0.79 KCNK3 (0.86) ALDH1A1KMT2AMEN1PKMSMN1; SMN2
SCHEMBL6779138 0.79 ALDH1A1 (1.00) L3MBTL1ALDH1A1SMN1; SMN2HTTGAA
SCHEMBL533767 0.77 KCNK3 (0.81) L3MBTL1ALDH1A1KMT2AMEN1PKM
SCHEMBL4978310 0.77 KDR (0.71) L3MBTL1ALDH1A1KMT2AMEN1PKM
SCHEMBL10063193 0.77 ITK (0.62) L3MBTL1ALDH1A1KMT2AMEN1PKM
SCHEMBL16454855 0.77 PIK3CD (0.50) L3MBTL1ALDH1A1KMT2AMEN1PKM
SCHEMBL12812751 0.76 MEN1 (0.68) L3MBTL1ALDH1A1KMT2AMEN1KCNK3
SCHEMBL22573826 0.76 KCNK3 (0.53) L3MBTL1ALDH1A1KMT2AMEN1PKM

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
EP-0804420-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-05 — — EP disclosed
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