SCHEMBL9412502

SCHEMBL9412502

COC(=O)CCNC(=O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ACSS2 Q9NR19 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDH1 O75874 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RIPK2 O43353 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL2362098 0.80 KDM4E (0.55) ACSS2MAPTRAB9ANPC1LMNA
SCHEMBL9249604 0.79 HDAC1 (0.50) KMT2AMAPTSMN1; SMN2TDP1RIPK2
SCHEMBL9412442 0.76 MAPT (0.49) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL8863519 0.76 HDAC1 (0.52) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9251340 0.76 HDAC1 (0.49) RIPK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL3370266 0.76 HCAR3 (0.50) ACSS2SMN1; SMN2RAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL9255053 0.76 HDAC1 (0.51) KMT2AMAPTSMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL9252320 0.76 HDAC1 (0.51) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9248580 0.76 HDAC1 (0.51) KMT2AMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL9255968 0.76 HDAC1 (0.51) MAPTSMN1; SMN2RIPK2HDAC3HDAC1

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 EP disclosed