SCHEMBL9288404

SCHEMBL9288404

O=C1C(Cc2ccncc2)c2cccnc2N1c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
MDM2 Q00987 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.37
KCNH2 Q12809 1/20 0.36
SMO Q99835 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34

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
SCHEMBL4599210 0.72 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL9719342 0.71 ALOX5 (0.47) ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8805740 0.71 MAPK1 (0.48) ALDH1A1GAASMN1; SMN2LMNAHTT
SCHEMBL9434703 0.70 ALDH1A1 (0.55) ALDH1A1MAPTGAAALOX12LMNA
SCHEMBL9469385 0.70 GAA (0.39) ALDH1A1MAPTGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL9303053 0.69 MAPK1 (0.55) ALDH1A1MAPTGAAALOX12LMNA
SCHEMBL9470503 0.68 ALDH1A1 (0.40) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL9303463 0.68 ALDH1A1 (0.44) ALDH1A1MAPTGAAALOX12
SCHEMBL9302631 0.68 ALDH1A1 (0.58) ALDH1A1MAPTGAAALOX12SMN1; SMN2
SCHEMBL9434879 0.65 ALDH1A1 (0.49) ALDH1A1MAPTGAAALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660833-A1 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO 2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-07-05 EP disclosed
WO-1994006793-A1 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO[2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-31 WO disclosed
US-5278162-A Learning enhancement THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-01-11 US disclosed