SCHEMBL18805459

SCHEMBL18805459

COC1=CC=C(c2sc3ccccc3c2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ATM Q13315 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.32
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL18872129 0.76 ATM (0.56) MAPTMEN1KMT2AHPGDTDP1
SCHEMBL18804144 0.72 L3MBTL1 (0.47) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL18859795 0.71 HPRT1 (0.47) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL18805451 0.70 MAPT (0.41) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL9506713 0.66 MAPT (0.50) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL11767284 0.64 MAPT (0.46) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL28932849 0.63 S100A4 (0.52) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL28769752 0.63 HPGD (0.50) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL28556282 0.60 MCL1 (0.56) LMNAMAPTMEN1KMT2AHPGD
SCHEMBL2975952 0.59 ROCK1 (0.43) LMNAMAPTMEN1KMT2AHPGD

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-3162806-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2017-05-03 EP disclosed