SCHEMBL14964289

SCHEMBL14964289

N=C(c1nonc1COc1cccc(Cl)c1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
WDR5 P61964 1/20 0.36
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TP53 P04637 1/20 0.33
HTR1A P08908 1/20 0.33
MAOB P27338 1/20 0.32
IDO1 P14902 1/20 0.32
SMPD1 P17405 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 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
SCHEMBL16581976 0.92 MAOB (0.36) MAPTTDP1ALDH1A1MAPK1HTT
SCHEMBL14964220 0.85 SENP2 (0.37) MAPTALDH1A1HTTTP53HTR1A
SCHEMBL16581662 0.85 MEN1 (0.34) MAPTALDH1A1HTTTP53KMT2A
SCHEMBL14964314 0.82 CA2 (0.54) MAOBKMT2A
SCHEMBL14462310 0.81 MAPT (0.42) MAPTTDP1ALDH1A1MAPK1HTT
SCHEMBL14964338 0.81 IDO1 (0.35) ALDH1A1IDO1KMT2A
SCHEMBL14964328 0.80 IDO1 (0.37) ALDH1A1IDO1
SCHEMBL15093214 0.79 ALDH1A1 (0.34) ALDH1A1IDO1
SCHEMBL15093027 0.79 MAPT (0.36) MAPTALDH1A1HTTTP53IDO1
SCHEMBL14964308 0.77 IDO1 (0.33) ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed