SCHEMBL11079708

SCHEMBL11079708

CCc1ccc(Nc2ncnc3cc(Cl)ccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
KDR P35968 4/20 0.55
FLT1 P17948 1/20 0.55
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
EGFR P00533 7/20 0.52
STAT1 P42224 1/20 0.52
FBP1 P09467 2/20 0.50
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
FADS1 O60427 1/20 0.49

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
Hydrochloric Acid SCHEMBL11083743 0.99 LMNA (0.55) LMNATP53MAPTKDRFLT1
SCHEMBL11084073 0.88 KDR (0.52) LMNATP53MAPTKDRFLT1
Hydrochloric Acid SCHEMBL11087813 0.87 KDR (0.51) LMNATP53MAPTKDRFLT1
SCHEMBL11090480 0.87 KDM4E (0.66) LMNAKDRFLT1KDM4EMEN1
Hydrochloric Acid SCHEMBL11087390 0.86 KDM4E (0.64) LMNAKDRFLT1KDM4EMEN1
SCHEMBL11091766 0.85 MAPK1 (0.62) LMNAMAPTKDRFLT1HTT
SCHEMBL11093822 0.84 TTBK1 (0.60) LMNATP53MAPTKDRFLT1
Hydrochloric Acid SCHEMBL11087905 0.83 MAPK1 (0.65) LMNAMAPTKDRFLT1HTT
Hydrochloric Acid SCHEMBL11084310 0.83 TTBK1 (0.58) TP53MAPTKDRFLT1HTT
SCHEMBL29236930 0.82 ABCG2 (0.64) LMNAMAPTKDRFLT1KDM4E

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
US-4464375-A ANALGESIC, ANTIINFLAMMATORY SANKYO CO., LTD. (JP) 1984-08-07 US disclosed
US-4322420-A Method of using 4-anilinoquinazoline derivatives as analgesic and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1982-03-30 US disclosed