SCHEMBL24883473

SCHEMBL24883473

CN(C)CCCNC(=O)c1cncc(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.51
▸ POLB P06746 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ FOLH1 Q04609 2/20 0.51
▸ HPGD P15428 4/20 0.50
▸ ATM Q13315 1/20 0.49
▸ FYN P06241 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ HSD17B10 Q99714 1/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL13778271 0.84 KDM4E (0.52) KDM4EPOLBGAAHPGDATM
SCHEMBL1134962 0.82 DRD2 (0.54) KDM4EPOLBGAAFOLH1HPGD
SCHEMBL1135013 0.81 LMNA (0.52) KDM4EPOLBGAAFOLH1ATM
SCHEMBL9511746 0.78 HPGD (0.68) KDM4EPOLBHPGDNPC1RAB9A
SCHEMBL16725467 0.77 FOLH1 (0.49) KDM4EPOLBGAAFOLH1HPGD
SCHEMBL24883478 0.77 FOLH1 (0.61) KDM4EPOLBGAAFOLH1HPGD
SCHEMBL23260943 0.76 NPC1 (0.65) KDM4EPOLBHPGDFYNNPC1
SCHEMBL5555283 0.76 RAB9A (0.64) KDM4EHPGDNPC1RAB9AL3MBTL1
SCHEMBL13778268 0.75 SMN1; SMN2 (0.51) KDM4EPOLBGAAHPGDATM
SCHEMBL10020214 0.75 HPGD (0.79) KDM4EPOLBHPGDNPC1RAB9A

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-2023283523-A1 2,3-DIHYDROBENZO[B][L,4]DIOXIN-6-YL CONTAINING COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-12 — — WO disclosed
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