SCHEMBL6650195

SCHEMBL6650195

O=C(O)C=Cc1cncn1C(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.41
TBXAS1 P24557 3/20 0.39
LMNA P02545 2/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GABRA1 P14867 3/20 0.37

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
SCHEMBL7521527 0.72 RAB9A (0.48) TBXAS1LMNAHDAC3TNKSHDAC4
SCHEMBL7521545 0.72 RAB9A (0.48) TBXAS1LMNAHDAC3TNKSHDAC4
SCHEMBL6805605 0.71 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1LMNAGABRA1
SCHEMBL6804116 0.70 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1LMNAGABRA1
Hydrochloric Acid SCHEMBL6805332 0.70 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1LMNAGABRA1
SCHEMBL6650197 0.70 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1LMNAGABRA1
SCHEMBL13160968 0.70 MAPK1 (0.48) ALDH1A1TDP1MAPK1LMNAGABRA1
SCHEMBL8370307 0.69 TBXAS1 (0.41) ALDH1A1TBXAS1LMNAHDAC3TNKS
SCHEMBL10414515 0.69 TBXAS1 (0.41) ALDH1A1TBXAS1LMNAHDAC3TNKS
SCHEMBL7605105 0.69 CYP11B1 (0.49) TBXAS1LMNACYP3A4CYP1A2CYP11B1

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-0970073-B1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2004-10-27 EP disclosed
EP-0973769-B1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2004-08-25 EP disclosed