SCHEMBL9688742

SCHEMBL9688742

C=Cc1ccc(C(=O)c2cccn2CCI)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
RECQL P46063 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.39
GFER P55789 1/20 0.39
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 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
SCHEMBL9689317 0.86 LMNA (0.46) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9688779 0.86 RECQL (0.46) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9688698 0.82 RECQL (0.66) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9687966 0.78 TAS1R3 (0.42) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9689136 0.78 NPC1 (0.54) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9687992 0.77 ALDH1A1 (0.39) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9689799 0.75 MAPT (0.36) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9689163 0.73 RECQL (0.43) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL9689185 0.73 SMN1; SMN2 (0.44) LMNARECQLMAPTMEN1ALDH1A1
SCHEMBL30543430 0.72 RECQL (0.65) LMNARECQLMAPTMEN1ALDH1A1

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