SCHEMBL19086218

SCHEMBL19086218

Cc1cccc(NC(=O)c2cc3c(s2)CCN(C(=O)CNC(=O)c2ccc(N)c(C=N)c2)C3)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HDAC6 Q9UBN7 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.38
CASP6 P55212 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL19086245 0.85 HDAC6 (0.43) KDM1AALDH1A1L3MBTL1PRMT5WDR77
SCHEMBL19086213 0.85 KDM1A (0.40) KDM1AKMT2AALDH1A1LMNAMAPT
SCHEMBL19086202 0.84 KDM1A (0.48) KDM1AKMT2AALDH1A1LMNAMAPT
SCHEMBL19086204 0.84 ALDH1A1 (0.43) KDM1AALDH1A1RAB9AL3MBTL1PRMT5
SCHEMBL19087005 0.83 KDM1A (0.41) KDM1AALDH1A1L3MBTL1PRMT5WDR77
SCHEMBL19086203 0.81 PRMT5 (0.40) KDM1AALDH1A1L3MBTL1PRMT5WDR77
SCHEMBL19086189 0.81 PRMT5 (0.48) KDM1AALDH1A1L3MBTL1PRMT5WDR77
SCHEMBL19086019 0.80 ALDH1A1 (0.41) KDM1AALDH1A1RAB9AL3MBTL1PRMT5
SCHEMBL19087010 0.80 KDM1A (0.41) KDM1AALDH1A1L3MBTL1PRMT5WDR77
SCHEMBL19086315 0.79 KDM1A (0.47) KDM1AALDH1A1MAPTNPC1RAB9A

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