SCHEMBL8689359

SCHEMBL8689359

COc1cccc(C(C)=O)c1OC/C=C/CBr

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
NFE2L2 Q16236 2/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.37
ALOX5 P09917 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL28065146 0.82 KDM4E (0.54) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL5696504 0.78 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL341046 0.76 NPC1 (0.58) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL29931828 0.76 NPC1 (0.58) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL18702949 0.76 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL10461568 0.74 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL29502992 0.73 SCN9A (0.58) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL6042536 0.73 KDM4E (0.49) SMN1; SMN2LMNAMAPTL3MBTL1HTT
SCHEMBL5307369 0.73 SCN9A (0.58) SMN1; SMN2LMNAMAPTL3MBTL1KDM4E
SCHEMBL3944765 0.73 LIG1 (0.54) SMN1; SMN2LMNAHTTALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843949-A 1-(1H-indolyloxyalkyl)-4-(heteroaryl)piperazines and related compounds useful as antipsychotics and analgesics HOECHST MARION ROUSSEL, INC. 1998-12-01 US disclosed
US-5776963-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 US disclosed