SCHEMBL31240652

SCHEMBL31240652

O=C(CCc1ccccc1)Nc1cc(Cl)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
TSHR P16473 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
GSK3A P49840 1/20 0.60
MAPK10 P53779 1/20 0.60
RIOK2 Q9BVS4 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 3/20 0.57
ALDH1A1 P00352 1/20 0.57
CCKBR P32239 1/20 0.54
NR3C2 P08235 1/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.53

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
SCHEMBL31240659 0.86 RIOK2 (0.74) RAB9AGSK3AMAPK10RIOK2MEN1
SCHEMBL29409190 0.83 RAB9A (0.61) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL30367058 0.83 RAB9A (0.61) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL3491650 0.83 RAB9A (0.61) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL14156874 0.82 LMNA (0.57) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7415340 0.81 GAA (0.61) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL7776518 0.81 GAA (0.83) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL14156884 0.80 RAB9A (0.57) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL3490414 0.80 SMN1; SMN2 (0.57) LMNATSHRL3MBTL1SMN1; SMN2RAB9A
SCHEMBL14156892 0.80 RAB9A (0.57) LMNATSHRL3MBTL1SMN1; SMN2RAB9A

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-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed