SCHEMBL29580353

SCHEMBL29580353

COCCOc1ccc(F)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 8/20 0.48
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2D6 P10635 1/20 0.41
GRM2 Q14416 1/20 0.40

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
SCHEMBL263614 1.00 PKM (0.54) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL267940 0.91 PKM (0.53) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL15674547 0.87 PKM (0.49) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL30338496 0.85 PKM (0.61) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL21794169 0.85 PKM (0.61) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL23677862 0.85 PKM (0.61) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL29440624 0.84 PKM (0.56) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL972013 0.84 PKM (0.56) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL18053754 0.84 PKM (0.56) PKML3MBTL1MAPTTDP1ALDH1A1
SCHEMBL14402360 0.81 HPGD (0.47) L3MBTL1MAPTTDP1ALDH1A1MEN1

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-110167946-B Sulfonamide compounds having TNAP inhibitory activity 第一三共株式会社 2022-04-08 CN disclosed