SCHEMBL9689705

SCHEMBL9689705

CCc1ccsc1C(=O)c1cccn1CCI

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.34
CNR2 P34972 2/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9689262 0.86 CNR2 (0.36) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9689866 0.86 MAPT (0.35) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9689977 0.79 TDP1 (0.36) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9689149 0.79 LMNA (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL9689996 0.78 GLA (0.33) CYP3A4TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL9689246 0.77 TSHR (0.44) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9689185 0.75 SMN1; SMN2 (0.44) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9689163 0.72 RECQL (0.43) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9688698 0.72 RECQL (0.66) MAPTLMNAALDH1A1MEN1ALOX12
SCHEMBL9689136 0.71 NPC1 (0.54) MAPTLMNAALDH1A1MEN1ALOX12

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