SCHEMBL7844458

SCHEMBL7844458

Oc1c(/C(Cl)=N/Cc2ccc(Cl)cc2)cnc2ccc(I)cc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
APP P05067 1/20 0.31
HTT P42858 2/20 0.30
NR2F2 P24468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7844460 1.00 F10 (0.33) F10TAAR1APPHTTNR2F2
SCHEMBL6667972 0.76 TRPV1 (0.40) MEN1KMT2A
SCHEMBL6198072 0.76 EGLN1 (0.47) HTTKDM4EMEN1KMT2A
SCHEMBL8124615 0.71 PIK3CA (0.35) KDM4EMEN1GAAKMT2A
SCHEMBL6199743 0.70 GAA (0.44) GAA
SCHEMBL1618188 0.69 PARP1 (0.41) APPHTTKDM4EMEN1KMT2A
SCHEMBL6196111 0.67 EGLN1 (0.47) HTTKDM4EMEN1KMT2A
SCHEMBL6198849 0.65 EGLN1 (0.51) HTTKDM4EMEN1KMT2A
SCHEMBL1616605 0.64 MAPK1 (0.53) KDM4EMEN1GAAKMT2A
SCHEMBL6194761 0.64 POLA1 (0.54) HTTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed