SCHEMBL10405285

SCHEMBL10405285

C=C(C(=O)O)C(=O)c1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 3/20 0.41
LMNA P02545 3/20 0.41
APEX1 P27695 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PARP10 Q53GL7 1/20 0.39
CYP1B1 Q16678 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10405649 0.83 PARP10 (0.44) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL4592053 0.81 CPT1B (0.61) CPT1BMAPTKDM4EHIF1ASLC22A6
SCHEMBL10498656 0.81 MAPT (0.46) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL2302999 0.80 CPT1B (0.67) CPT1BMAPTHIF1ACES2CES1
SCHEMBL491263 0.79 CES2 (0.62) MAPTCES2CES1LMNAPOLB
SCHEMBL10918347 0.78 CES2 (0.62) CPT1BMAPTKDM4ECES2CES1
SCHEMBL31146749 0.78 CES2 (0.62) MAPTCES2CES1LMNAMEN1
SCHEMBL7824195 0.78 CES2 (0.62) CPT1BCES2CES1LMNACYP1B1
SCHEMBL1888848 0.78 CES2 (0.55) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL7824230 0.78 CYP2C9 (0.55) MAPTKDM4EHIF1ALMNAMEN1

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-4940711-A Antihypertensive N-piperazinylalkanoylanilides RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1990-07-10 US disclosed
EP-0120558-A1 Antihypertensive N-piperazinylalkanoylanilides RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1984-10-03 EP disclosed