SCHEMBL26408602

SCHEMBL26408602

CC(C)(C)c1ccc(Nc2cc3c(cc2Br)-c2ccccc2C3(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ PDK2 Q15119 3/20 0.33
▸ CA9 Q16790 1/20 0.32
▸ SLC2A1 P11166 1/20 0.32
▸ KCNK18 Q7Z418 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CASP3 P42574 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
SCHEMBL30714373 0.87 MEN1 (0.37) PDK2NPC1ALDH1A1NFKB1RAB9A
SCHEMBL23040363 0.87 MEN1 (0.37) PDK2NPC1ALDH1A1NFKB1RAB9A
SCHEMBL26924733 0.85 PTGER4 (0.36) ABCG2PDK2ALDH1A1NFKB1
SCHEMBL29853707 0.81 PDK2 (0.49) KDRP2RY1ABCG2PDK2NPC1
SCHEMBL30935419 0.81 PDK2 (0.49) KDRP2RY1ABCG2PDK2NPC1
SCHEMBL30056023 0.81 PDK2 (0.43) KDRP2RY1ABCG2PDK2PDGFRB
SCHEMBL14681502 0.81 PDK2 (0.43) KDRP2RY1ABCG2PDK2PDGFRB
SCHEMBL16596687 0.81 PDK2 (0.49) KDRP2RY1ABCG2PDK2NPC1
SCHEMBL28986072 0.79 P2RY1 (0.30) KDRAKR1C3AKR1C2P2RY1ABCG2
SCHEMBL25254653 0.79 HIF1A (0.32) KDRAKR1C3AKR1C2P2RY1ABCG2

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-2023172111-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 — — WO disclosed
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