SCHEMBL14964293

SCHEMBL14964293

CC(C)N(C)CCc1nonc1C(=N)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.32
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
IDO1 P14902 5/20 0.30
TDO2 P48775 1/20 0.30
MEN1 O00255 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
SCHEMBL15093027 0.83 MAPT (0.36) ALDH1A1SMN1; SMN2USP2IDO1TDO2
SCHEMBL15093214 0.82 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2USP2LMNAIDO1
SCHEMBL14462370 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL14964338 0.82 IDO1 (0.35) ALDH1A1SMN1; SMN2IDO1TDO2MEN1
SCHEMBL14964328 0.81 IDO1 (0.37) ALDH1A1SMN1; SMN2IDO1TDO2
SCHEMBL14964252 0.80 IDO1 (0.45) ALDH1A1SMN1; SMN2USP2LMNAIDO1
SCHEMBL14964214 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAIDO1TDO2
SCHEMBL14964354 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2USP2LMNAIDO1
SCHEMBL14964272 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2USP2LMNAIDO1
SCHEMBL14964308 0.78 IDO1 (0.33) ALDH1A1IDO1TDO2

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