SCHEMBL9688754

SCHEMBL9688754

O=C(c1ccsc1)c1cccn1CCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HDAC1 Q13547 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 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
SCHEMBL9689163 0.86 RECQL (0.43) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9689707 0.86 RECQL (0.43) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9688818 0.80 RECQL (0.66) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9689339 0.77 MEN1 (0.36) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9689183 0.77 GSK3B (0.47) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9687989 0.76 ELANE (0.38) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9690069 0.75 MEN1 (0.34) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9689070 0.74 SMN1; SMN2 (0.48) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9688156 0.73 MAPT (0.46) RECQLMEN1ALDH1A1LMNAMAPT
SCHEMBL9689326 0.73 NPC1 (0.54) RECQLMEN1ALDH1A1LMNAMAPT

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-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed