SCHEMBL8436119

SCHEMBL8436119

CC(=O)C1(C)CN(Oc2nc(-c3ccc(Cl)cc3)nc3c2CCCC3)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TP53 P04637 3/20 0.37
ACHE P22303 3/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
FPR1 P21462 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 2/20 0.33
CACNB4 O00305 2/20 0.32
CACNA1A O00555 2/20 0.32
CACNA1G O43497 2/20 0.32
CACNG3 O60359 2/20 0.32
CACNA1F O60840 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNB3 P54284 2/20 0.32

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
SCHEMBL7501896 0.71 L3MBTL1 (0.51) KMT2ATP53HPGDSMN1; SMN2MAPT
SCHEMBL7502555 0.67 KDM4E (0.42) KMT2ATP53HPGDHSD17B10SMN1; SMN2
SCHEMBL7501517 0.66 TP53 (0.52) KMT2ATP53POLB
SCHEMBL6075338 0.63 TP53 (0.49) KMT2ATP53ACHEHTTHPGD
SCHEMBL6075340 0.63 TP53 (0.48) KMT2ATP53ACHEHTTHPGD
SCHEMBL7495437 0.61 POLB (0.55) SMN1; SMN2POLB
SCHEMBL6075899 0.61 TP53 (0.40) KMT2ATP53ACHEHTTSMN1; SMN2
SCHEMBL6076557 0.61 KMT2A (0.43) KMT2ATP53HTTHPGDSMN1; SMN2
SCHEMBL6076552 0.61 KMT2A (0.43) KMT2ATP53HTTHPGDSMN1; SMN2
SCHEMBL14529283 0.60 BCHE (0.50) TP53ACHENPC1BCHEALDH1A1

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
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed