SCHEMBL8540539

SCHEMBL8540539

N=C(N)Nc1cccc(C(=Cc2cccc(NC=O)c2C=CC(=O)O)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.41
PARP10 Q53GL7 5/20 0.41
PARP15 Q460N3 3/20 0.41
PARP14 Q460N5 3/20 0.41
PKM P14618 1/20 0.38
KDR P35968 1/20 0.37
CREBBP Q92793 1/20 0.37
ITGB3 P05106 4/20 0.35
ITGAV P06756 4/20 0.35
ITGA2B P08514 4/20 0.35
SIRT1 Q96EB6 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGB5 P18084 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL8538381 0.85 PARP1 (0.38) PARP1PARP10PARP15PARP14KDR
SCHEMBL8538801 0.85 KDR (0.37) PARP1PARP10PARP15PARP14KDR
SCHEMBL8542380 0.83 PARP1 (0.37) PARP1PARP10PARP15PARP14KDR
SCHEMBL8539103 0.82 RXFP1 (0.41) PARP1PARP10PARP15PARP14PKM
SCHEMBL8536782 0.80 NPC1 (0.37) PARP1PARP10PARP15PARP14PKM
SCHEMBL8538559 0.79 PARP1 (0.38) PARP1PARP10PARP15PARP14CREBBP
SCHEMBL8542521 0.77 CBS (0.37) PARP1PARP10PARP15PARP14ALDH1A1
SCHEMBL8544132 0.77 LMNA (0.39) PARP1PARP10PARP15PARP14ALDH1A1
SCHEMBL8542355 0.77 MAPT (0.42) ALDH1A1MAPT
SCHEMBL8441146 0.74 PKM (0.48) PARP1PARP10PARP15PARP14PKM

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-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed