SCHEMBL9960823

SCHEMBL9960823

O=Cc1ccc(B(O)O)o1.O=Cc1ccc(B(O)O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.42
KDM4E B2RXH2 8/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL9221 1.00 ALDH1A1 (0.47) ALDH1A1TSHRGAAKDM4ETDP1
Furan SCHEMBL17140223 0.89 ALDH1A1 (0.39) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL9946109 0.77 GAA (0.47) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL31236254 0.76 KDM4E (0.36) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL51391 0.74
SCHEMBL18187371 0.74 KDM4E (0.42) TSHRKDM4ETDP1
SCHEMBL28571795 0.72 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL28562313 0.72 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL28565958 0.72 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1
SCHEMBL28576319 0.72 ALDH1A1 (0.54) ALDH1A1TSHRGAAKDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468745-B1 Process for the preparation of lapatinib and the salts thereof ITALIANA SINT SPA (IT) 2013-04-24 EP disclosed
EP-2468745-A1 Process for the preparation of lapatinib and the salts thereof F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-06-27 EP disclosed