SCHEMBL27664668

SCHEMBL27664668

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)N3CCCC(C)C3)c(C)s2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LPAR5 Q9H1C0 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SPTLC2 O15270 5/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5032649 0.92 ALDH1A1 (0.48) POLBALDH1A1L3MBTL1MAPTTSHR
SCHEMBL27664670 0.87 HTR2C (0.47) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL27664664 0.86 NPC1 (0.37) MAPTKMT2ATSHRNPC1RAB9A
SCHEMBL27664669 0.85 POLB (0.44) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5035881 0.82 KMT2A (0.39) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5034690 0.81 CNR1 (0.40) ALDH1A1KMT2ANPC1RAB9ASPTLC2
SCHEMBL5032584 0.79 HCRTR1 (0.41) POLBALDH1A1NPC1RAB9AKDM4E
SCHEMBL5032530 0.78 HTR2C (0.43) POLBALDH1A1L3MBTL1MAPTMEN1
SCHEMBL5034814 0.78 RAB9A (0.37) ALDH1A1CYP3A4TSHRHTTNPC1
SCHEMBL5034816 0.78 RAB9A (0.37) ALDH1A1CYP3A4TSHRHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN claimed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN claimed
CN-100509808-C Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
CN-1890236-A Novel thiazole derivates HOFFMANN LA ROCHE (CH) 2007-01-03 CN disclosed