SCHEMBL19086189

SCHEMBL19086189

N=Cc1cc(C(=O)NCC(=O)N2CCc3sc(C(=O)NCCc4ccccc4)cc3C2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 9/20 0.48
WDR77 Q9BQA1 9/20 0.48
KDM1A O60341 4/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HTT P42858 1/20 0.39

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 0.88 KDM1A (0.41) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086203 0.86 PRMT5 (0.40) PRMT5WDR77KDM1AALDH1A1KDM4E
SCHEMBL19086245 0.86 HDAC6 (0.43) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086194 0.85 PRMT5 (0.43) PRMT5WDR77
SCHEMBL19086315 0.84 KDM1A (0.47) PRMT5WDR77KDM1AALDH1A1L3MBTL1
SCHEMBL19087010 0.83 KDM1A (0.41) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086019 0.82 ALDH1A1 (0.41) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086204 0.82 ALDH1A1 (0.43) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086195 0.82 KDM1A (0.41) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2
SCHEMBL19086253 0.82 KDM1A (0.41) PRMT5WDR77KDM1AALDH1A1SMN1; SMN2

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