SCHEMBL19986535

SCHEMBL19986535

CN(CC1(CNC(=O)Nc2ccc(F)c(Cl)c2)CC1)c1c(Cl)cncc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
LMNA P02545 4/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 3/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 4/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL19986646 0.78 ALDH1A1 (0.49) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986461 0.78 ALDH1A1 (0.52) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986606 0.78 ALDH1A1 (0.53) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986693 0.78 ALDH1A1 (0.53) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986602 0.76 KMT2A (0.47) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986542 0.76 KMT2A (0.48) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986556 0.75 TSHR (0.48) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986559 0.74 TSHR (0.46) KMT2AMEN1LMNANPC1MAPT
SCHEMBL19986553 0.71 KMT2A (0.63) KMT2AMEN1LMNANPC1MAPT
SCHEMBL31309231 0.71 MEN1 (0.78) KMT2AMEN1LMNANPC1MAPT

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-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed