SCHEMBL14964200

SCHEMBL14964200

N=C(c1nonc1Cn1nnc(-c2ccc(F)cc2)n1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL14964226 0.84 STAT5B (0.41) L3MBTL1ALDH1A1HPGD
SCHEMBL14964309 0.84 L3MBTL1 (0.31) L3MBTL1POLBSMN1; SMN2
SCHEMBL14462671 0.83 KMT2A (0.45) KMT2AL3MBTL1POLBTP53ALDH1A1
SCHEMBL14964365 0.82 HDAC6 (0.38) SMN1; SMN2
SCHEMBL14964281 0.81
SCHEMBL14964193 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14964196 0.79 IDO1 (0.32) ALDH1A1
SCHEMBL5630859 0.79 KMT2A (0.44) KMT2AL3MBTL1POLBTP53ALDH1A1
SCHEMBL5630868 0.79 KMT2A (0.44) KMT2AL3MBTL1POLBTP53ALDH1A1
SCHEMBL14964277 0.78 IDO1 (0.32) L3MBTL1SMN1; SMN2

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