SCHEMBL30529689

SCHEMBL30529689

CCCC1(CCC)c2ccccc2-c2ccc(C(=NO)c3ccccc3F)cc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.35
▸ APEX1 P27695 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ F2R P25116 1/20 0.31
▸ MGLL Q99685 1/20 0.31

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
SCHEMBL17084378 0.85 CNR2 (0.35) PDK2APEX1
SCHEMBL30529729 0.83 PDK2 (0.41) PDK2APEX1
SCHEMBL29080823 0.83 PDK2 (0.41) PDK2APEX1
SCHEMBL17084358 0.79 KDM4E (0.40) PDK2APEX1KDM4EALDH1A1
SCHEMBL19186318 0.77 KMT2A (0.39) PDK2KDM4EALDH1A1
SCHEMBL29368666 0.74 APEX1 (0.36) PDK2APEX1
SCHEMBL18812932 0.74 APEX1 (0.36) PDK2APEX1
SCHEMBL18838856 0.74 APEX1 (0.36) PDK2APEX1
SCHEMBL18812934 0.74 APEX1 (0.36) PDK2APEX1
SCHEMBL17084322 0.74 APEX1 (0.39) PDK2APEX1

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
CN-109471330-B Photosensitive composition and photopolymerization initiator used therein 东京应化工业株式会社 2023-08-29 — — CN disclosed
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