SCHEMBL7901310

SCHEMBL7901310

FC(F)(F)c1cnc(SCc2ccccc2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL8789957 0.81 KDM4E (0.53) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL7671680 0.78 KMT2A (0.51) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL1818167 0.78 SMN1; SMN2 (0.45) KMT2AALDH1A1HPGDPKMLMNA
SCHEMBL8788592 0.77 KMT2A (0.55) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL8412537 0.76 KMT2A (0.53) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL22809569 0.76 PKM (0.52) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL7821174 0.75 PKM (0.65) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL6394768 0.75 HSD17B10 (0.59) KDM4EALDH1A1HPGDNPSR1GAA
SCHEMBL7676239 0.75 NPSR1 (0.56) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL1816752 0.74 NPC1 (0.42) ALDH1A1NPSR1GAAPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191280-B1 REACTING SUBSTITUTED 2-HALOPYRIDINE DERIVATIVE WITH A THIO COMPOUND IN PRESENCE OF COPPER CATALYST TO GIVE A PYRIDINE THIOETHER, AND THEN OXIDIZING THE THIOETHER INTERMEDIATE TO FORM SULFOXIDE OR SULFONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0984935-A1 METHOD FOR PRODUCING SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2000-03-15 EP disclosed
WO-1998054139-A1 METHOD FOR PRODUCING SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed