SCHEMBL19086203

SCHEMBL19086203

CN(C)CCNC(=O)c1cc2c(s1)CCN(C(=O)CNC(=O)c1ccc(N)c(C=N)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 9/20 0.40
WDR77 Q9BQA1 9/20 0.40
KDM1A O60341 5/20 0.40
HDAC6 Q9UBN7 6/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 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
SCHEMBL19087005 0.90 KDM1A (0.41) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086245 0.88 HDAC6 (0.43) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086189 0.86 PRMT5 (0.48) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086201 0.85 PRMT5 (0.40) PRMT5WDR77HDAC6ALDH1A1NAMPT
SCHEMBL19086204 0.85 ALDH1A1 (0.43) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086019 0.83 ALDH1A1 (0.41) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086195 0.83 KDM1A (0.41) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086253 0.83 KDM1A (0.41) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086315 0.82 KDM1A (0.47) PRMT5WDR77KDM1AHDAC6ALDH1A1
SCHEMBL19086222 0.82 KDM1A (0.39) PRMT5WDR77KDM1AHDAC6ALDH1A1

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