SCHEMBL8115142

SCHEMBL8115142

O=C(CCCc1ccccc1)Nc1cccc(C(=O)CO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
POLB P06746 1/20 0.66
MAPT P10636 4/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
TRPV1 Q8NER1 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
HTT P42858 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53

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
SCHEMBL8113896 0.96 NPC1 (0.61) NPC1RAB9APOLBMAPTGAA
SCHEMBL6579892 0.95 NPC1 (0.60) NPC1RAB9APOLBMAPTGAA
SCHEMBL6582663 0.92 MAPT (0.73) NPC1RAB9APOLBMAPTGAA
SCHEMBL6580505 0.83 KMT2A (0.69) POLBMAPTMEN1KMT2ALMNA
SCHEMBL6577802 0.83 NR1H4 (0.62) RAB9APOLBMEN1KMT2ALMNA
SCHEMBL6577998 0.83 NR1H4 (0.65) RAB9APOLBMAPTMEN1KMT2A
SCHEMBL7147082 0.83 SMN1; SMN2 (0.64) NPC1RAB9APOLBMAPTGAA
SCHEMBL8012743 0.81 TRPV1 (0.81) NPC1RAB9APOLBMAPTGAA
SCHEMBL19501426 0.81 NPC1 (0.72) NPC1RAB9APOLBMAPTGAA
SCHEMBL6579989 0.80 MEN1 (0.59) NPC1RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed