SCHEMBL438980

SCHEMBL438980

Cc1cc(N)c2cccc(Cl)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 1.00
KDM4E B2RXH2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NCF1 P14598 1/20 0.53
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PARP1 P09874 1/20 0.46
CRHR1 P34998 4/20 0.45
ACHE P22303 2/20 0.44
CYP3A4 P08684 1/20 0.43
CD38 P28907 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL3063558 0.83 NR4A2 (0.71) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL9830968 0.81 NR4A2 (0.69) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL438224 0.81 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL5243405 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439824 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL1026984 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1MAPTL3MBTL1
SCHEMBL439768 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439579 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL439735 0.79 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1MAPT
SCHEMBL440270 0.76 NR4A2 (0.62) NR4A2KDM4ETDP1NCF1MAPT

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
EP-4596548-A1 NURR1 MODULATORS Ludwig-Maximilians-Universität (DE) 2025-08-06 EP disclosed
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed