SCHEMBL8809336

SCHEMBL8809336

O=C(c1ccccc1)c1cccn1CCC(I)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
ALOX12 P18054 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 3/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL8810190 0.85 ALDH1A1 (0.51) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9688698 0.80 RECQL (0.66) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9688818 0.77 RECQL (0.66) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9690007 0.77 RECQL (0.54) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9688628 0.76 ALDH1A1 (0.52) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL8807589 0.75 RECQL (0.67) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL30543430 0.74 RECQL (0.65) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9526005 0.73 RECQL (0.70) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL9329215 0.73 RECQL (1.00) RECQLLMNAMEN1ALDH1A1MAPT
SCHEMBL29489108 0.71 RECQL (0.61) RECQLLMNAMEN1ALDH1A1MAPT

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
EP-0791595-A1 Methods for preparing 5-aroyl-1,2-dihydro-3h-pyrrolo-(1,2-a)Pyrrole-1-carboxylic acids Ohmeda Pharmaceutical Products Division Inc. (US) 1997-08-27 EP disclosed