SCHEMBL21887958

SCHEMBL21887958

c1ccc(C2(c3cccc4c3Cc3ccccc3-4)c3ccccc3Nc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
PNMT P11086 1/20 0.40
PGR P06401 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
KDR P35968 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SRD5A2 P31213 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2453350 0.73 LMNA (0.69) LMNACHRM2ADORA3KCNH2BCHE
SCHEMBL29373003 0.73 LMNA (0.69) LMNACHRM2ADORA3KCNH2BCHE
SCHEMBL5582092 0.70 LMNA (0.51) LMNAPGRCHRM2ADORA3KCNH2
SCHEMBL29757969 0.70 NPC1 (0.50) PNMTPGRCA1CA2CA4
SCHEMBL29170221 0.70 CHEK1 (0.40) LMNAPNMTNPC1RAB9AHTR7
SCHEMBL5581522 0.69 LMNA (0.50) LMNAPGRCHRM2ADORA3KCNH2
SCHEMBL30103334 0.69 PNMT (0.63) LMNAPNMTPGRCA1CA2
SCHEMBL524602 0.69 PNMT (0.63) LMNAPNMTPGRCA1CA2
SCHEMBL22680481 0.69 NPC1 (0.43) LMNAPNMTPGRNPC1RAB9A
SCHEMBL30631774 0.68 PGR (0.49) LMNAPNMTPGRCA1CA2

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-2020056859-A1 9,10-DIHYDROACRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 宁波卢米蓝新材料有限公司 2020-03-26 WO disclosed