SCHEMBL14964273

SCHEMBL14964273

N=C(c1nonc1CNCCCn1ccnc1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
QPCT Q16769 4/20 0.38
GSK3B P49841 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
IDO1 P14902 1/20 0.35
USP2 O75604 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
SCHEMBL14964291 0.87 IDO1 (0.39) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL14462393 0.85 ALOX15 (0.48) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL4984072 0.85 IDO1 (0.36) IDO1
SCHEMBL14964260 0.82 EGFR (0.39) CYP3A4CYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL14964279 0.82 IDO1 (0.33) IDO1
SCHEMBL4979731 0.82 IDO1 (0.34) ALDH1A1KMT2AMAPTLMNAL3MBTL1
SCHEMBL4900358 0.81 ALOX15 (0.47) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL4727606 0.81 ALOX15 (0.47) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL4980217 0.81 TAAR1 (0.35) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL16581715 0.80 TBXAS1 (0.34) F2F10IDO1

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