SCHEMBL19087008

SCHEMBL19087008

Cc1cnccc1CNC(=O)c1cc2c(s1)CCN(C=O)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.41
WDR77 Q9BQA1 5/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
BTK Q06187 4/20 0.40
F10 P00742 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMO Q99835 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL19087009 0.84 ALDH1A1 (0.49) PRMT5WDR77RAB9AKDM4EMEN1
SCHEMBL19086028 0.82 ALDH1A1 (0.47) PRMT5WDR77KDM4EMEN1KMT2A
SCHEMBL19086320 0.79 KDM4E (0.56) PRMT5WDR77RAB9AKDM4EMEN1
SCHEMBL19086231 0.74 ALDH1A1 (0.56) PRMT5WDR77RAB9AKDM4EMEN1
SCHEMBL19087007 0.73 PRMT5 (0.38) PRMT5WDR77F10HDAC6
SCHEMBL19086251 0.72 METTL3 (0.39) PRMT5WDR77F10HDAC6
SCHEMBL19086350 0.71 MAPT (0.48) PRMT5WDR77RAB9AKDM4EMEN1
SCHEMBL16794476 0.69 BTK (0.62) PRMT5WDR77BTKF10
SCHEMBL19086022 0.68 RAB9A (0.56) PRMT5WDR77RAB9AKDM4EMEN1
SCHEMBL19086996 0.66 NPC1 (0.45) PRMT5WDR77RAB9ASMN1; SMN2NPC1

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-2017114275-A1 COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME 成都先导药物开发有限公司 2017-07-06 WO disclosed