SCHEMBL9026536

SCHEMBL9026536

CCCC[Sn](CCCC)(CCCC)c1ccnn1CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2597489 0.79 CCNK (0.31) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL2389319 0.74 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL1095862 0.74 CYP1A2 (0.41) ALDH1A1KMT2ACYP1A2POLBCYP3A4
SCHEMBL29556375 0.74 POLB (0.42) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL22445327 0.71 CNR2 (0.32)
SCHEMBL12597099 0.71 MAPK1 (0.54) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL2390425 0.70 CTSK (0.34) ALDH1A1L3MBTL1
SCHEMBL6078178 0.69 HSD11B1 (0.38) HSD11B1MAPTL3MBTL1LMNATLR8
SCHEMBL11680871 0.68 SIGMAR1 (0.48) HSD11B1HPGDSIGMAR1SMN1; SMN2
SCHEMBL8378237 0.68 SIGMAR1 (0.48) HSD11B1HPGDSIGMAR1SMN1; SMN2

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-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed