SCHEMBL22745269

SCHEMBL22745269

CC(C)(C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)N4CCSCC4)cc3)c3ccccc3-c3ccc(C(=O)c4cccnc4)cc32)cc1)N1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PDK2 Q15119 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 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
SCHEMBL22745177 0.90 PDK2 (0.43) PDK2ALDH1A1LMNANPC1RAB9A
SCHEMBL22745245 0.85 SMN1; SMN2 (0.41) ADORA2AADORA1ALDH1A1CYP1A2CYP3A4
SCHEMBL22745264 0.85 PDK2 (0.40) ADORA2AADORA1PDK2CYP1A2CYP3A4
SCHEMBL22745441 0.82 SMN1; SMN2 (0.36) PDK2ALDH1A1TSHR
SCHEMBL22745282 0.81 PDK2 (0.39) ADORA2AADORA1PDK2CYP1A2CYP3A4
SCHEMBL22745176 0.81 PDK2 (0.41) PDK2ALDH1A1LMNANPC1ALOX15
SCHEMBL22745107 0.81 PDK2 (0.38) ADORA2AADORA1PDK2ALDH1A1CYP1A2
SCHEMBL22745277 0.79 ALDH1A1 (0.44) PDK2ALDH1A1MEN1KMT2ANPC1
SCHEMBL22745255 0.78 HPGD (0.37) ALDH1A1TSHRHDAC1HDAC6
SCHEMBL22745182 0.78 PDK2 (0.34) PDK2ALDH1A1LMNATDP1KDM4E

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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