SCHEMBL10498656

SCHEMBL10498656

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP19A1 P11511 3/20 0.43
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAOA P21397 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PARP10 Q53GL7 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL23190953 0.83 MAPT (0.59) MAPTNPC1RAB9ACYP19A1LMNA
SCHEMBL10405285 0.81 CPT1B (0.41) MAPTNPC1RAB9ACYP19A1LMNA
SCHEMBL10405649 0.81 PARP10 (0.44) MAPTNPC1RAB9ACYP19A1LMNA
SCHEMBL17591087 0.78 MAPT (0.48) MAPTNPC1RAB9ACYP19A1LMNA
SCHEMBL14886367 0.78 CES2 (0.67) MAPTRAB9ALMNACES2CES1
SCHEMBL1888848 0.77 CES2 (0.55) MAPTNPC1RAB9ALMNACYP1A2
SCHEMBL14886374 0.76 MAPT (0.72) MAPTNPC1RAB9ALMNACES2
SCHEMBL11664895 0.76 PARP10 (0.47) MAPTNPC1RAB9ACYP19A1LMNA
SCHEMBL10405628 0.74 ALDH1A1 (0.71) MAPTNPC1RAB9ALMNACYP1A2
Hydrochloric Acid SCHEMBL28122115 0.74 CES2 (0.52) MAPTNPC1RAB9ALMNACYP1A2

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
EP-0120558-B1 ANTIHYPERTENSIVE N-PIPERAZINYLALKANOYLANILIDES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1989-03-08 EP disclosed