SCHEMBL14964282

SCHEMBL14964282

O=C(NCc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1)c1c[nH]cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14443034 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4981954 0.96 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL4981944 0.96 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14462385 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4981946 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL4981948 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14443033 0.83 MAOB (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14443032 0.83 NPC1 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14964168 0.83 MAOB (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL14964263 0.83 NPC1 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed