SCHEMBL14964361

SCHEMBL14964361

N=C(c1nonc1CNCc1ccccn1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 5/20 0.44
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL14964194 0.87 SMN1; SMN2 (0.37) POLBNPC1LMNAUSP2KMT2A
SCHEMBL15100408 0.83 NPC1 (0.55) POLBNPC1LMNAKMT2AMEN1
SCHEMBL4979731 0.82 IDO1 (0.34) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL14964214 0.80 ALDH1A1 (0.33) POLBLMNAKMT2AMEN1L3MBTL1
SCHEMBL14964340 0.80 SIGMAR1 (0.36) LMNAKMT2AMEN1RAB9AALDH1A1
SCHEMBL4980217 0.80 TAAR1 (0.35) NPC1LMNAKMT2AMEN1ALDH1A1
SCHEMBL14964279 0.79 IDO1 (0.33)
SCHEMBL14964338 0.79 IDO1 (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4973610 0.79 NPC1 (0.54) POLBNPC1LMNAKMT2AMEN1
SCHEMBL5631091 0.79 NPC1 (0.54) POLBNPC1LMNAKMT2AMEN1

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