SCHEMBL27664669

SCHEMBL27664669

COc1ccc(N(C(=O)c2ccccc2Cl)c2nc(C(=O)N3CCCC(C)C3)cs2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 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
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LPAR5 Q9H1C0 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
SPTLC2 O15270 5/20 0.39
LMNA P02545 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
SCHEMBL27643397 0.92 POLB (0.44) POLBALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5032648 0.92 ALDH1A1 (0.48) POLBALDH1A1KMT2ANPC1RAB9A
SCHEMBL5032534 0.90 NPC1 (0.44) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5035129 0.88 TRPC3 (0.40) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL27664741 0.87 HTR2C (0.47) POLBSPTLC2TRPC3TRPC6
SCHEMBL27643378 0.86 HTR2C (0.49) KMT2ATSHRNPC1RAB9A
SCHEMBL27664673 0.86 NPC1 (0.41) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL27643379 0.86 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRL3MBTL1NPC1
SCHEMBL27664668 0.85 POLB (0.43) POLBALDH1A1KMT2AMEN1CYP3A4
SCHEMBL5032473 0.84 RAB9A (0.42) ALDH1A1KMT2ANPC1RAB9AKDM4E

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