SCHEMBL8997450

SCHEMBL8997450

Nc1ccc(C(=O)CI)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAOA P21397 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP19A1 P11511 2/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
APEX1 P27695 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PARP10 Q53GL7 1/20 0.42
MASP2 O00187 1/20 0.41
PLAU P00749 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
SCHEMBL10020269 0.87 GSK3B (0.76) GSK3BCYP3A4MEN1KMT2AMAPT
SCHEMBL9547546 0.83 LMNA (0.47) GSK3BLMNACYP1A2CYP3A4MAOA
SCHEMBL11365527 0.80 MAPT (0.56) LMNACYP1A2CYP3A4MAOAMEN1
SCHEMBL11695106 0.78 GSK3B (0.64) GSK3BRAB9ANPC1
SCHEMBL3373429 0.78 LMNA (0.47) LMNACYP1A2CYP3A4MAOAMEN1
SCHEMBL3181886 0.78 LMNA (0.47) LMNACYP1A2CYP3A4MAOAMEN1
SCHEMBL28443057 0.78 GSK3B (0.64) GSK3BLMNACYP3A4MAPTKDM4E
SCHEMBL4887083 0.76 GSK3B (0.61) GSK3BCYP3A4MEN1KMT2AMAPT
SCHEMBL3119618 0.76 GSK3B (0.61) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL658726 0.76 GSK3B (0.64) GSK3BLMNAMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508930-B Two (aminodithioformic acid)-1,3-propylene diester compounds and synthetic method, pharmaceutical composition and purposes PEKING UNIVERSITY (CN) 2016-01-27 CN disclosed
CN-103508930-A Bis(aminodithioformate)-1,3-propane diester compound, and synthesis method, pharmaceutical composition and use thereof UNIV BEIJING 2014-01-15 CN disclosed
EP-0498658-B1 Composition for inducing humoral anergy to an immunogen JOLLA PHARMA (US) 1996-09-04 EP disclosed
US-5268454-A Bonding T-cell epitope to polymer LA JOLLA PHARMACEUTICAL COMPANY (US) 1993-12-07 US disclosed
WO-1992013558-A1 A COMPOSITION FOR INDUCING HUMORAL ANERGY LA JOLLA PHARMACEUTICAL (US) 1992-08-20 WO disclosed
EP-0498658-A2 Composition for inducing humoral anergy to an immunogen LA JOLLA PHARMACEUTICAL (US) 1992-08-12 EP disclosed