SCHEMBL438224

SCHEMBL438224

Cc1cc(N)c2cccc(C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.69
KDM4E B2RXH2 5/20 0.62
TDP1 Q9NUW8 1/20 0.62
RAD52 P43351 4/20 0.57
POLB P06746 2/20 0.57
PSMD14 O00487 1/20 0.57
MITF O75030 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
APEX1 P27695 1/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NCF1 P14598 1/20 0.56
TP53 P04637 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PARP1 P09874 2/20 0.43

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
SCHEMBL8966258 0.82 KDM4E (0.69) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL439735 0.81 NR4A2 (0.65) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL5243405 0.81 NR4A2 (0.65) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL439824 0.81 NR4A2 (0.65) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL438980 0.81 NR4A2 (1.00) NR4A2KDM4ETDP1ALDH1A1MAPT
SCHEMBL437287 0.79 NR4A2 (0.61) NR4A2KDM4ETDP1POLBALDH1A1
SCHEMBL436718 0.79 NR4A2 (0.61) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL20680269 0.78 NR4A2 (0.59) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL6586705 0.78 NR4A2 (0.59) NR4A2KDM4ETDP1RAD52POLB
SCHEMBL11060868 0.77 KDM4E (0.61) KDM4ETDP1RAD52POLBPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 WO 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
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed