SCHEMBL19957585

SCHEMBL19957585

CN1CCC(Nc2ccc(I)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
RPS6KB1 P23443 1/20 0.42
KAT2B Q92831 3/20 0.42
IL1B P01584 4/20 0.41
JAK3 P52333 3/20 0.41
NLRP3 Q96P20 3/20 0.41
JAK2 O60674 2/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
SYK P43405 1/20 0.39
CDK9 P50750 1/20 0.38
HCAR3 P49019 1/20 0.38
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL27363570 0.91 SYK (0.45) HRH4KAT2BJAK3JAK2SYK
SCHEMBL13103494 0.84 CCR6 (0.50) HRH4RPS6KB1KAT2BIL1BNLRP3
SCHEMBL13700891 0.84 CCR6 (0.50) HRH4RPS6KB1KAT2BIL1BNLRP3
SCHEMBL28447539 0.80 KAT2B (0.45) HRH4RPS6KB1KAT2BCDK9CCNK
SCHEMBL15247306 0.80 HRH4 (0.43) HRH4RPS6KB1KAT2BIL1BJAK3
SCHEMBL14147062 0.80 HRH4 (0.43) HRH4RPS6KB1KAT2BIL1BJAK3
SCHEMBL15722382 0.80 HRH4 (0.48) HRH4RPS6KB1KAT2BIL1BNLRP3
SCHEMBL27680946 0.79 HCAR3 (0.56) HCAR3CCNKCDK12
SCHEMBL2709790 0.79 HCAR3 (0.56) HCAR3CCNKCDK12
SCHEMBL21299823 0.77 HRH4 (0.48) HRH4RPS6KB1KAT2BIL1BNLRP3

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-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed