SCHEMBL19086024

SCHEMBL19086024

O=C(NCC(=O)N1CCc2sc(C(=O)NCc3cncc(F)c3)cc2C1)c1ccc2[nH]ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
NAMPT P43490 3/20 0.42
KDM1A O60341 5/20 0.42
HDAC6 Q9UBN7 4/20 0.42
METTL3 Q86U44 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRMT5 O14744 6/20 0.39
WDR77 Q9BQA1 6/20 0.39
METAP2 P50579 1/20 0.37
LMNA P02545 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL19086023 0.86 NAMPT (0.38) MAOBNAMPTMETTL3ALDH1A1KDM4E
SCHEMBL19086223 0.85 METTL3 (0.43) MAOBNAMPTKDM1AHDAC6METTL3
SCHEMBL19086351 0.85 MAOB (0.44) MAOBNAMPTKDM1AHDAC6METTL3
SCHEMBL19086026 0.84 METTL3 (0.44) MAOBKDM1AHDAC6METTL3ALDH1A1
SCHEMBL19086259 0.83 METTL3 (0.42) MAOBNAMPTKDM1AHDAC6METTL3
SCHEMBL19086183 0.81 KDM1A (0.40) MAOBKDM1AHDAC6METTL3ROCK2
SCHEMBL19086208 0.81 KDM1A (0.44) MAOBKDM1AHDAC6ALDH1A1KDM4E
SCHEMBL19086209 0.80 ROCK2 (0.43) MAOBNAMPTKDM1AHDAC6METTL3
SCHEMBL19086995 0.80 ROCK2 (0.47) MAOBKDM1AHDAC6METTL3ALDH1A1
SCHEMBL19086214 0.80 METTL3 (0.48) MAOBMETTL3ALDH1A1ROCK2ROCK1

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