SCHEMBL9689174

SCHEMBL9689174

O=C(c1ccc(Cl)cc1Cl)c1cccn1CCBr

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
HSD17B10 Q99714 1/20 0.64
CNR2 P34972 3/20 0.46
SRD5A2 P31213 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C9 P11712 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL9689290 0.88 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10CNR2SRD5A2MEN1
SCHEMBL9689264 0.86 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10CNR2SRD5A2MEN1
SCHEMBL10487740 0.79 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10CNR2SRD5A2MEN1
SCHEMBL11728744 0.79 SMN1; SMN2 (1.00) SMN1; SMN2HSD17B10SRD5A2MEN1KMT2A
SCHEMBL9689173 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10CNR2MEN1KMT2A
SCHEMBL10487745 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10CNR2SRD5A2MEN1
SCHEMBL9689142 0.78 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10CNR2MEN1KMT2A
SCHEMBL9688875 0.76 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10CNR2SRD5A2MEN1
SCHEMBL10487648 0.76 SMN1; SMN2 (0.68) SMN1; SMN2HSD17B10SRD5A2MEN1KMT2A
Hydrochloric Acid SCHEMBL10487607 0.74 SMN1; SMN2 (0.67) SMN1; SMN2HSD17B10SRD5A2MEN1KMT2A

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