SCHEMBL24459502

SCHEMBL24459502

NCc1ccc(-c2ccccc2F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ CSNK2A1 P68400 3/20 0.46
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ S1PR1 P21453 1/20 0.42
▸ LOXL2 Q9Y4K0 3/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.40
▸ PTPRC P08575 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC5 Q9UQL6 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
SCHEMBL27521594 0.81 CSNK2A1 (0.40) MAOBCSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL11673405 0.80 NPC1 (0.53) CSNK2A1CSNK2A2CSNK2BCSNK2A3PTPRC
SCHEMBL5992486 0.78 TAAR1 (0.56) MAOBCSNK2A1LOXL2TAAR1PTPRC
SCHEMBL5990056 0.77 HTR7 (0.51) CSNK2A1LOXL2TAAR1PTPRCPTPN1
SCHEMBL18554678 0.77 HTR7 (0.51) MAOBLOXL2TAAR1BACE1
SCHEMBL27861722 0.77 CSNK2A1 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3BACE1
SCHEMBL30083617 0.75 LOXL2 (0.43) MAOBCSNK2A1S1PR1LOXL2NSD2
SCHEMBL24792402 0.75 LOXL2 (0.43) MAOBCSNK2A1S1PR1LOXL2NSD2
SCHEMBL16343572 0.74 CSNK2A1 (0.58) MAOBCSNK2A1LOXL2TAAR1BACE1
SCHEMBL11726632 0.74 SRD5A2 (0.49) —

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-2022109078-A1 AROMATIC BORON-CONTAINING COMPOUNDS AND INSULIN ANALOGS PROTOMER TECHNOLOGIES INC. (US) 2022-05-27 — — WO disclosed
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