SCHEMBL4440082

SCHEMBL4440082

C=C(Cl)c1cccc(C(=C)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
FURIN P09958 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA1 P00915 1/20 0.32
CA6 P23280 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL12449052 0.88 FURIN (0.36) TDP1ATML3MBTL1ALDH1A1TSHR
SCHEMBL25631170 0.88 ALDH1A1 (0.50) TDP1ATML3MBTL1PARP1ALDH1A1
SCHEMBL28827546 0.86 CA12 (0.54) TDP1ATML3MBTL1TSHRCA12
SCHEMBL674193 0.85 PARP1 (0.54) L3MBTL1PARP1ALDH1A1TSHR
SCHEMBL22991626 0.83 HDAC1 (0.37)
SCHEMBL4704670 0.83 C1S (0.52) L3MBTL1PARP1ALDH1A1TSHRLMNA
SCHEMBL27989860 0.83 PARP1 (0.52) TDP1PARP1HDAC8HDAC6
SCHEMBL27864984 0.83 CES2 (0.56) L3MBTL1PARP1HDAC6CES2CES1
SCHEMBL16148832 0.79 TSHR (0.53) L3MBTL1ALDH1A1TSHRCA12CA2
SCHEMBL12449045 0.79 TP53 (0.47) TDP1ALDH1A1TSHRHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223832-A1 POLYAMIDE-BASED FILM, MANUFACTURING METHOD THEREFOR, AND COVER WINDOW AND DISPLAY DEVICE EACH COMPRISING SAME SK microworks Co., Ltd. (KR) 2023-08-09 EP disclosed
EP-2118051-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Chelsea Therapeutics, Inc. (US) 2009-11-18 EP disclosed
WO-2008097180-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF CHELSEA THERAPEUTICS, INC. (US) 2008-08-14 WO disclosed