SCHEMBL30534206

SCHEMBL30534206

CCC1(CC)c2cc(C(=O)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.46
▸ HPGD P15428 5/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PTPRC P08575 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ELANE P08246 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL132979 0.87 PDK2 (0.50) PDK2HPGDNPC1RAB9AALDH1A1
SCHEMBL3793042 0.85 PDK2 (0.40) PDK2RAB9AALDH1A1L3MBTL1LMNA
SCHEMBL5842894 0.85 PTPN1 (0.40) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5841679 0.81 PDK2 (0.43) PDK2ALDH1A1L3MBTL1ATMTDP1
SCHEMBL12856537 0.80 PDK2 (0.49) PDK2HPGDNPC1RAB9ATDP1
SCHEMBL134303 0.80 PDK2 (0.49) PDK2HPGDNPC1RAB9ATDP1
SCHEMBL19186584 0.80 PDK2 (0.46) PDK2HPGDNPC1RAB9AALDH1A1
SCHEMBL13781052 0.79 PDK2 (0.49) PDK2HPGDNPC1RAB9AALDH1A1
SCHEMBL25011845 0.79 PDK2 (0.51) PDK2HPGDNPC1RAB9AALDH1A1
SCHEMBL25671262 0.78 PDK2 (0.38) PDK2ALDH1A1L3MBTL1ATMTDP1

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-2023100237-A1 NETWORK NODE AND COMMUNICATION METHOD 株式会社NTTドコモ 2023-06-08 — — WO disclosed
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