SCHEMBL8544650

SCHEMBL8544650

N=C(N)Nc1cccc(C(=C(NC=O)C(=O)O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
PARP10 Q53GL7 5/20 0.42
PARP15 Q460N3 3/20 0.42
PARP14 Q460N5 3/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.38
PLAU P00749 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CREBBP Q92793 1/20 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
SCHEMBL8542018 0.86 CYP1A2 (0.45) PARP1PARP10PARP15PARP14KCNK3
SCHEMBL8542589 0.83 KMT2A (0.43) PARP1PARP10PARP15PARP14KMT2A
SCHEMBL8541231 0.79 PARP1 (0.40) PARP1PARP10PARP15PARP14KCNK3
SCHEMBL5354517 0.76 L3MBTL1 (0.60) KCNK3KCNK9MEN1KMT2AALDH1A1
SCHEMBL1185244 0.76 KMT2A (0.58) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL8540211 0.76 RXFP1 (0.44) KCNK3KCNK9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3839558 0.74 KMT2A (0.57) PARP1PARP10PARP15MEN1KMT2A
Hydrochloric Acid SCHEMBL29568124 0.74 KMT2A (0.57) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL895690 0.74 MEN1 (0.63) PARP1PARP10PARP15PARP14MEN1
SCHEMBL27419737 0.73 PLK4 (0.44) PARP1PARP10PARP15PARP14KCNK3

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 1 patent. 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 disclosed