SCHEMBL9792249

SCHEMBL9792249

Cc1ccc(C(=S)N2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
MEN1 O00255 1/20 0.70
MGLL Q99685 5/20 0.70
ALDH1A1 P00352 8/20 0.68
HPGD P15428 5/20 0.68
HSD17B10 Q99714 4/20 0.68
ALOX15 P16050 2/20 0.68
PHGDH O43175 2/20 0.68
TSHR P16473 2/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
FAAH O00519 2/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.58
NPC1 O15118 1/20 0.54

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
(4-Bromophenyl)(Morpholino)Methanethione SCHEMBL8424996 0.82 MGLL (1.00) KMT2AMGLLALDH1A1HPGDHSD17B10
SCHEMBL19357081 0.81 LMNA (1.00) KMT2AMEN1MGLLALDH1A1HPGD
(4-Chlorophenyl)(Morpholino)Methanethione SCHEMBL9268856 0.81 ALDH1A1 (1.00) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL13186487 0.80 ALDH1A1 (0.78) KMT2AMEN1MGLLALDH1A1HPGD
Morpholino(Phenyl)Methanethione SCHEMBL9180076 0.80 MGLL (0.79) KMT2AMGLLALDH1A1HPGDHSD17B10
SCHEMBL13758203 0.79 LMNA (0.57) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL12871 0.79 PHGDH (0.69) KMT2AALDH1A1HPGDPHGDHTSHR
SCHEMBL8108872 0.79 MGLL (0.68) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL8115934 0.78 ALDH1A1 (1.00) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL4893392 0.77 LMNA (0.62) KMT2AMEN1MGLLALDH1A1HPGD

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
US-4988822-A Intermediates for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo(1,2-A)pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1991-01-29 US disclosed
US-4873340-A Process for preparing 5-aroyl-1,2-dihydro-3H-pyrrolo[1,2-A]pyrrole-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1989-10-10 US disclosed