SCHEMBL854124

SCHEMBL854124

O=C(O)Oc1ccc2cc3n(c2c1)CC=Cc1ccccc1-3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
BCHE P06276 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL270972 0.82 POLB (0.40) KMT2AALDH1A1KDM4EPOLB
SCHEMBL16354331 0.71 ACLY (0.36) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2156296 0.69 BCL2L1 (0.38) ALDH1A1KDM4E
SCHEMBL4826644 0.67 RPS6KA3 (0.39)
SCHEMBL4829943 0.64 SMN1; SMN2 (0.37) KMT2AMEN1SMN1; SMN2KDM4EPOLB
Naphthalene SCHEMBL1131780 0.64 KMT2A (0.69) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL29937281 0.64 KMT2A (0.69) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1563903 0.64 KMT2A (0.69) KMT2AMEN1ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL809274 0.63 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9230269 0.62 KMT2A (0.61) KMT2AMEN1ALDH1A1KDM4ENPC1

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-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP claimed
EP-2396329-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP claimed
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP claimed