SCHEMBL8932455

SCHEMBL8932455

COCCSC1=NCC(SCc2ccccc2OC)CN1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
QRFPR Q96P65 4/20 0.35
MAPT P10636 3/20 0.33
CTSB P07858 1/20 0.33
LMNA P02545 1/20 0.33
METAP2 P50579 2/20 0.32
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GFER P55789 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL8932504 0.75 HTR7 (0.41) ALDH1A1MAPK1SMN1; SMN2QRFPRLMNA
SCHEMBL8932457 0.72 MAP2K7 (0.32)
SCHEMBL28104559 0.66 QRFPR (0.54) KMT2AMEN1QRFPRLMNA
SCHEMBL8932468 0.64 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL7341529 0.60 IDO1 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL28403191 0.60 IDO1 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL515180 0.58 IDO1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL792023 0.58 TAAR1 (0.64) ALDH1A1MAPTL3MBTL1
SCHEMBL6980281 0.58 MEN1 (0.40) KMT2AMEN1SMN1; SMN2QRFPRLMNA
SCHEMBL8611008 0.58 SMN1; SMN2 (0.55) ALDH1A1KMT2AMEN1SMN1; SMN2QRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed