SCHEMBL6965803

SCHEMBL6965803

ClCc1coc(-c2ccccc2Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
C1R P00736 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 6/20 0.38
ALDH1A1 P00352 4/20 0.38
ELANE P08246 1/20 0.38
DRD2 P14416 3/20 0.37

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
SCHEMBL5015991 0.81 ALDH1A1 (0.50) RAB9ASMN1; SMN2TP53MAPTL3MBTL1
SCHEMBL6964586 0.81 HDAC1 (0.48) HDAC1HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL6975567 0.81 HDAC1 (0.51) HDAC1HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL6487009 0.80 NPC1 (0.46) RAB9ASMN1; SMN2TP53MAPTL3MBTL1
SCHEMBL28524363 0.80 PTPN11 (0.45) RAB9ASMN1; SMN2TP53MAPTMAPK1
SCHEMBL2227527 0.80 NOTUM (0.45) RAB9ASMN1; SMN2TP53MAPTL3MBTL1
SCHEMBL28331657 0.80 HDAC1 (0.34) HDAC1HDAC8HDAC6C1RKMT2A
SCHEMBL6971887 0.78 HDAC1 (0.56) HDAC1HDAC8HDAC6RAB9ASMN1; SMN2
SCHEMBL28333413 0.78 DPP4 (0.42) HDAC1HDAC8HDAC6L3MBTL1ALDH1A1
SCHEMBL1696172 0.76 ESR2 (0.36) RAB9AL3MBTL1NPC1ALDH1A1DRD2

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
EP-1206457-B1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS LILLY CO ELI (US) 2003-10-15 EP claimed