SCHEMBL21844848

SCHEMBL21844848

CCN(CCO)CCc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.49
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ GSPT1 P15170 1/20 0.43
▸ DDB1 Q16531 1/20 0.43

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
SCHEMBL21844826 0.86 NPC1 (0.51) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL21844906 0.86 BCHE (0.49) KDRMEN1KMT2ARAB9ANPC1
SCHEMBL21844896 0.80 PARP1 (0.49) PARP1KDRMEN1KMT2ARAB9A
SCHEMBL19157362 0.74 LMNA (0.54) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL4248100 0.73 KCNK3 (0.69) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL20084043 0.73 SMN1; SMN2 (0.47) PARP1MEN1KMT2ARAB9ANPC1
SCHEMBL19157150 0.73 PARP1 (0.51) PARP1MEN1KMT2ARAB9ANPC1
SCHEMBL19157165 0.72 BCHE (0.59) MEN1KMT2ARAB9ANPC1HPGD
SCHEMBL21844862 0.72 MEN1 (0.59) MEN1KMT2ARAB9APOLBLMNA
SCHEMBL7748140 0.72 NPC1 (0.73) MEN1KMT2ARAB9ANPC1CASP3

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
EP-3312160-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2020-03-18 — — EP disclosed
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