SCHEMBL29954942

SCHEMBL29954942

COc1ccc([C@@H]2C[C@H]2B(O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.39
MAOA P21397 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAOB P27338 1/20 0.39
NNMT P40261 1/20 0.38
CHRNA7 P36544 2/20 0.38
FFAR1 O14842 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL29950949 0.79 KDM1A (0.36) KDM1ACHRNB2CHRNA4
SCHEMBL6262582 0.78 KDM1A (0.43) KDM1AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL29953508 0.77 CHRNB2 (0.50) CHRNA7ALDH1A1CHRNB2CHRNA4
SCHEMBL6267026 0.75 FFAR1 (0.46) KDM1AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL18984025 0.74 CHRNA7 (0.50) KDM1AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL18983876 0.74 CHRNA7 (0.53) KDM1AMAOAMAOBNNMTCHRNA7
SCHEMBL9738148 0.74 CHRNA7 (0.44) KDM1AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL29952551 0.72 HRH3 (0.45) KDM1AMAOAMAOBCHRNA7CHRNB2
SCHEMBL6265823 0.72 KDM1A (0.41) KDM1AMAOASLC6A2SLC6A4SLC6A3
SCHEMBL6263545 0.72 FFAR1 (0.51) KDM1AMAOAMAOBNNMTCHRNA7

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed