SCHEMBL8237346

SCHEMBL8237346

COc1ccc(CN2CCN(C(=O)c3cc(-c4ccc(C)c(OC)c4)nc4ccccc34)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.80
WNK1 Q9H4A3 1/20 0.72
RAB9A P51151 6/20 0.64
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 1/20 0.61
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 3/20 0.59
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TRPV1 Q8NER1 1/20 0.57

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
SCHEMBL5530240 0.93 BCHE (0.83) BCHEWNK1RAB9APOLBTDP1
SCHEMBL8237823 0.88 BCHE (0.65) BCHEWNK1RAB9APOLBTDP1
SCHEMBL14437452 0.81 KMT2A (0.69) BCHEWNK1RAB9APOLBTDP1
SCHEMBL5527489 0.80 ACACB (0.79) BCHEWNK1POLBTDP1KDM4E
SCHEMBL5534950 0.80 KDM4E (0.89) BCHERAB9APOLBTDP1KDM4E
SCHEMBL5532737 0.79 KMT2A (0.74) BCHEWNK1RAB9APOLBTDP1
SCHEMBL8240361 0.78 DHODH (0.70) RAB9APOLBKDM4EALDH1A1LMNA
SCHEMBL8237905 0.77 KMT2A (0.84) BCHERAB9APOLBTDP1KDM4E
SCHEMBL28206921 0.75 KDM4E (0.92) BCHEWNK1RAB9APOLBTDP1
SCHEMBL5529559 0.74 KMT2A (0.83) RAB9APOLBTDP1KDM4EALDH1A1

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-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed