SCHEMBL18701941

SCHEMBL18701941

O=C(O)c1sc(Cl)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
DAO P14920 6/20 0.35
MCL1 Q07820 4/20 0.34
GPR35 Q9HC97 1/20 0.34
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
BCL2L1 Q07817 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18701665 0.84 BCKDK (0.41) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL18701613 0.84 BCKDK (0.44) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL18701551 0.82 BCKDK (0.36) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL18701625 0.82 DAO (0.39) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL22845146 0.80 GPR35 (0.39) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL20893768 0.80 ALDH1A1 (0.42) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL21858819 0.80 GPR35 (0.39) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL20894433 0.80 BCKDK (0.35) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL18701553 0.79 BCKDK (0.41) BCKDKALDH1A1HPGDTSHRDAO
SCHEMBL3914573 0.77 DAO (0.36) BCKDKALDH1A1HPGDTSHRDAO

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
US-20180282605-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-10-04 US disclosed
WO-2017060699-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed