SCHEMBL24340487

SCHEMBL24340487

CN(C)/C=N\c1ncc(I)c2nc(NC(C)(C)C)ncc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL24340012 0.79 KDM4E (0.35) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL24340009 0.77 KDM4E (0.32) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL24340010 0.76 KDM4E (0.33) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL24339666 0.73 SMN1; SMN2 (0.33) LMNA
SCHEMBL31636809 0.67 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL24339611 0.64 CYP1A2 (0.40) KDM4ENPC1ALDH1A1MAPK1HTT
SCHEMBL13017447 0.61 L3MBTL1 (0.38) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL16926828 0.60 MAPT (0.40) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL3251456 0.60 ALDH1A1 (0.41) KDM4ENPC1ALDH1A1HTTRAB9A
SCHEMBL19760999 0.60 L3MBTL1 (0.36) KDM4ENPC1ALDH1A1LMNAGLA

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
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed