SCHEMBL7303740

SCHEMBL7303740

NCCc1nc2ccc(-c3ccc(=O)[nH]n3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.52
UBE2N P61088 1/20 0.52
IDO1 P14902 1/20 0.52
MAPT P10636 5/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7303724 0.90 RAD52 (0.43) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL7302713 0.72 MAPT (0.66) MAPTKMT2AMEN1GPR119PDE3B
SCHEMBL7293313 0.71 RAD52 (0.50) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL12647765 0.70 MAPT (0.50) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL10773538 0.70 PDE3B (0.42) MAPTKMT2APKMMEN1KDM4E
SCHEMBL1974375 0.69 RAD52 (0.67) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL19383787 0.69 IDO1 (1.00) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL1971897 0.69 KMT2A (0.78) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL12647369 0.68 MAPT (0.57) RAD52UBE2NIDO1MAPTKMT2A
SCHEMBL27624079 0.68 PDE4A (0.48) MAPTKMT2AMEN1GPR119PDE3B

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-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed