SCHEMBL31958

SCHEMBL31958

CN(C)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
MAPT P10636 2/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
IL18 Q14116 1/20 0.47
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CACNA1B Q00975 2/20 0.43

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
SCHEMBL60385 0.87 ALDH1A1 (0.58) MAPTKDM4EMEN1LMNAMAPK1
SCHEMBL8551347 0.87 SLC6A4 (0.45) SLC6A4PARP15PARP10PARP2MAPT
SCHEMBL7041250 0.82 PARP15 (0.63) SLC6A4PARP15PARP10PARP2MAPT
SCHEMBL8852392 0.82 PARP15 (0.63) SLC6A4PARP15PARP10PARP2MAPT
SCHEMBL13018337 0.82 ALDH1A1 (0.65) MAPTKDM4EMEN1LMNAMAPK1
SCHEMBL13018335 0.82 ALDH1A1 (0.65) MAPTKDM4EMEN1LMNAMAPK1
SCHEMBL3946527 0.82 ALDH1A1 (0.65) MAPTKDM4EMEN1LMNAMAPK1
SCHEMBL8849587 0.81 ALDH1A1 (0.50) MAPTKDM4EMEN1LMNAMAPK1
SCHEMBL7262864 0.81 APP (0.53) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL31122257 0.80 SLC6A4 (0.40) SLC6A4PARP15PARP10PARP2MAPT

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-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed