SCHEMBL14964215

SCHEMBL14964215

N=C(c1nonc1CNCCN1CCOCC1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
EGFR P00533 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CNR1 P21554 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP3K8 P41279 1/20 0.36
RET P07949 1/20 0.35
IDO1 P14902 1/20 0.35
MDM4 O15151 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL14964260 0.95 EGFR (0.39) FYNEGFRALDH1A1GAAEPHX2
SCHEMBL16581822 0.86 EGFR (0.38) FYNEGFRALDH1A1GAAEPHX2
SCHEMBL14964261 0.86 CYP2A13 (0.37) FYNEGFRALDH1A1LMNAKMT2A
SCHEMBL4979731 0.84 IDO1 (0.34) ALDH1A1HTTLMNAKMT2AIDO1
SCHEMBL14461931 0.84 EGFR (0.47) FYNEGFRALDH1A1GAAEPHX2
SCHEMBL15092999 0.84 EGFR (0.35) FYNEGFRLMNAKMT2AIDO1
SCHEMBL4979807 0.84 ALDH1A1 (0.34) ALDH1A1GAALMNAKMT2AIDO1
SCHEMBL14964214 0.82 ALDH1A1 (0.33) EGFRALDH1A1GAASMN1; SMN2LMNA
SCHEMBL14964279 0.81 IDO1 (0.33) IDO1
SCHEMBL14964179 0.81 HPGD (0.36) EGFRKMT2AIDO1

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