SCHEMBL6863754

SCHEMBL6863754

CCOC(=O)c1c(I)c2ccccc2n1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
ELANE P08246 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 2/20 0.43
STAT3 P40763 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL14019802 0.81 TSHR (0.54) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8687175 0.79 PTGER4 (0.52) KDM4EALDH1A1ELANEMEN1KMT2A
SCHEMBL8689676 0.79 ALDH1A1 (0.56) KDM4EALDH1A1ELANEKMT2ARXFP1
SCHEMBL8688955 0.75 CCR2 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL5356066 0.73 TDP1 (0.46) TDP1KDM4EALDH1A1ELANEMEN1
SCHEMBL11730958 0.73 ALDH1A1 (0.51) KDM4EALDH1A1ELANEKMT2ASMN1; SMN2
SCHEMBL5623862 0.72 F10 (0.57) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL1392918 0.72 NOD2 (0.64) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL30585515 0.72 NOD2 (0.64) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL20139846 0.71 FOLH1 (0.47) TDP1KDM4EALDH1A1MEN1KMT2A

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-6800627-B1 CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS, DIABETES INSPIDUS, SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2004-10-05 US disclosed