SCHEMBL22745253

SCHEMBL22745253

CCN(CC)C(C)(C)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)N(CC)CC)cc3)c3cc(C(=O)c4cccnc4)ccc3-c3ccc(C(=O)C(C)(C)N(CC)CC)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GRM2 Q14416 2/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GFER P55789 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ MAPT P10636 2/20 0.33

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
SCHEMBL22745107 0.95 PDK2 (0.38) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL22745264 0.82 PDK2 (0.40) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL22745282 0.81 PDK2 (0.39) CYP1A2CYP3A4GRM2RAB9ANPC1
SCHEMBL22745245 0.80 SMN1; SMN2 (0.41) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL22745248 0.78 PDK2 (0.34) LMNAHTTRAB9ANPC1ALDH1A1
SCHEMBL22745269 0.76 ADORA2A (0.36) LMNACYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL22745257 0.74 PDK2 (0.39) ALDH1A1PDK2
SCHEMBL22745165 0.74 PDK2 (0.47) TDP1RAB9ANPC1PDK2L3MBTL1
SCHEMBL22745359 0.73 PDK2 (0.41) PDK2
SCHEMBL22745171 0.70 PDK2 (0.35) PDK2

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-2020238862-A1 FLUORENE INITIATOR, PHOTOCURABLE COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 常州强力先端电子材料有限公司 2020-12-03 — — WO disclosed
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