SCHEMBL7764620

SCHEMBL7764620

CSc1ccc(C(O)(CC(C)C(N)(O)[C@H](C)Oc2ccccc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A4 P31645 3/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
GHSR Q92847 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7772503 0.80 KIF11 (0.39) KIF11ALDH1A1LMNAEDNRBEDNRA
SCHEMBL7772500 0.71 LMNA (0.40) KIF11KMT2ALMNAMTNR1AMTNR1B
SCHEMBL6322829 0.68 ADRB2 (0.54) ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL6322158 0.68 SIGMAR1 (0.36) KIF11ALDH1A1MEN1KMT2ALMNA
SCHEMBL6322832 0.68 ADRB2 (0.54) ALDH1A1MEN1KMT2ASLC6A2
SCHEMBL6322160 0.68 SIGMAR1 (0.36) KIF11ALDH1A1MEN1KMT2ALMNA
SCHEMBL11622889 0.66 KIF11 (0.47) KIF11MEN1KMT2A
SCHEMBL5288156 0.66 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL7772520 0.65 KIF11 (0.43) KIF11ALDH1A1MEN1KMT2ALMNA
SCHEMBL7764655 0.64 KIF11 (0.45) KIF11MEN1KMT2ALMNA

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed