SCHEMBL1979784

SCHEMBL1979784

COc1ccc2[nH]c3cnc(-c4cccnc4)cc3c2c1-c1ccc(OCC(O)CN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
PIK3CB P42338 3/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABCB1 P08183 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1984174 0.88 ABL1 (0.49)
SCHEMBL1979485 0.87 ABL1 (0.49)
SCHEMBL2216489 0.84 PKM (0.48) PKML3MBTL1MAPK1LMNAKDM4E
SCHEMBL1980375 0.81 JAK2 (0.45) PKMKMT2A
SCHEMBL1983423 0.81 ABL1 (0.47)
SCHEMBL1980317 0.79 PDPK1 (0.49)
SCHEMBL1979697 0.79 TLR8 (0.40) KDM4EALDH1A1
SCHEMBL1982548 0.78 ERN1 (0.46) L3MBTL1KMT2A
SCHEMBL1980257 0.78 PIM1 (0.52)
SCHEMBL1980602 0.77 ABL1 (0.45)

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-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed