SCHEMBL4981542

SCHEMBL4981542

N=C(c1nonc1CN1CCN(CCO)CC1)N(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.37
EGFR P00533 1/20 0.33
ALPL P05186 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MDM4 O15151 1/20 0.32
MDM2 Q00987 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.31
IDO1 P14902 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14964261 0.88 CYP2A13 (0.37) EGFRALDH1A1LMNAKMT2ARAB9A
SCHEMBL14964210 0.86 TP53 (0.33) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL14964179 0.84 HPGD (0.36) EGFRMAPTKMT2AIDO1HPGD
SCHEMBL14964338 0.82 IDO1 (0.35) ALDH1A1KMT2ASMN1; SMN2IDO1
SCHEMBL15093288 0.82 KMT2A (0.30) KMT2A
SCHEMBL14964196 0.82 IDO1 (0.32) ALDH1A1IDO1
SCHEMBL14462335 0.82 RAB9A (0.42) SOS1EGFRLMNAMAPTKMT2A
SCHEMBL5631166 0.81 LMNA (0.40) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL16581822 0.81 EGFR (0.38) EGFRALDH1A1LMNAMAPTIDO1
SCHEMBL14964328 0.79 IDO1 (0.37) ALDH1A1SMN1; SMN2IDO1

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 3 patents. 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
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO claimed