SCHEMBL3945936

SCHEMBL3945936

CCC(=O)c1ccc(SC)cn1.[Li]CCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL3608608 0.88 ADORA3 (0.40) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL3950147 0.75 GABRA5 (0.30) ALDH1A1
SCHEMBL2656296 0.72 CYP1A2 (0.49) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8115931 0.71 MAPT (0.36) MAPTALDH1A1PKMADORA3ADORA2A
SCHEMBL5371986 0.70 ALDH1A1 (0.44) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4331572 0.70 P4HTM (0.53) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL2643085 0.70 TDP1 (0.48) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL28775127 0.70 NFKB1 (0.73) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL26480953 0.70 MAPT (0.48) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL13341653 0.70 ALDH1A1 (0.44) KDM4EMAPTMEN1KMT2AL3MBTL1

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
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 WO disclosed