SCHEMBL9689991

SCHEMBL9689991

O=C(c1ccco1)c1cccn1CCCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL9689750 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9688805 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9688171 0.77 PADI1 (0.41) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9689319 0.76 TSHR (0.43) ALDH1A1KMT2ATDP1KDM4EMAPT
SCHEMBL9689070 0.75 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9688818 0.75 RECQL (0.66) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9689783 0.75 TSHR (0.36) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL9689827 0.73 CASP3 (0.35) ALDH1A1MEN1KMT2ARECQLTHRB
SCHEMBL9689183 0.72 GSK3B (0.47) ALDH1A1MEN1KMT2ARECQLPOLB
SCHEMBL30733945 0.71 KMT2A (0.47) ALDH1A1MEN1KMT2ARECQLPOLB

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