SCHEMBL31504231

SCHEMBL31504231

COc1ccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)cn2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
DRD4 P21917 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 6/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.46
NAMPT P43490 1/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL22495229 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL31504250 0.89 DRD4 (0.46) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL22495258 0.89 DRD4 (0.46) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL22495453 0.88 DGAT1 (0.53) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL31504192 0.88 DGAT1 (0.53) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL22495309 0.87 DRD4 (0.47) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL31504244 0.87 DRD4 (0.47) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL22495336 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL31504185 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHTTDRD4
SCHEMBL22495452 0.84 F2 (0.60) ALDH1A1KDM4ELMNADRD4MAPT

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
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed