SCHEMBL11464005

SCHEMBL11464005

O=C(c1ccc(Cl)cc1Cc1ccccc1)c1ccc(Cl)cc1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.62
HPGD P15428 2/20 0.62
MEN1 O00255 1/20 0.62
ALOX15 P16050 1/20 0.62
KMT2A Q03164 1/20 0.62
HIF1A Q16665 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 3/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
PTGER1 P34995 2/20 0.45
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SNCA P37840 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL979351 0.90 HPGD (0.62) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL28838076 0.87 MEN1 (0.58) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL11537482 0.87 CYP3A4 (0.58) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL4278694 0.81 RECQL (0.49) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL417015 0.81 ALOX5 (0.58) MEN1KMT2APTPN1PTPN2PTPN6
SCHEMBL13316485 0.80 CYP3A4 (0.54) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL7584267 0.80 MEN1 (0.58) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL27757808 0.79 HPGD (0.49) CYP3A4HPGDALOX15KMT2AHIF1A
SCHEMBL11464001 0.79 TSHR (0.54) CYP3A4HPGDMEN1ALOX15KMT2A
SCHEMBL9828997 0.78 MAPT (0.60) CYP3A4HPGDMEN1ALOX15KMT2A

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
JP-55141477-A None JP disclosed
JP-S55141477-A PREPARATION OF 3,4-DISUBSTITUTED-1,2,5-THIADIAZOLE TASHIRO MASASHI 1980-11-05 JP disclosed