SCHEMBL7346732

SCHEMBL7346732

COc1cc(N(C)C)ccc1C(=O)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 6/20 0.51
MAPK1 P28482 4/20 0.51
USP2 O75604 1/20 0.51
TLR9 Q9NR96 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
TUBB1 Q9H4B7 1/20 0.44
NPC1 O15118 3/20 0.42

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
SCHEMBL27908567 0.84 LMNA (0.59) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL12970697 0.83 LMNA (0.57) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10473353 0.80 MEN1 (0.54) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL220681 0.80 NPC1 (0.64) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL17202768 0.78 MEN1 (0.59) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL10473282 0.77 MEN1 (0.51) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3291689 0.77 TSHR (0.50) LMNAMEN1KMT2ACYP1A2CYP3A4
SCHEMBL11756782 0.77 ACHE (0.52) LMNAMEN1KMT2ACYP3A4MAPT
SCHEMBL1423874 0.77 FLT1 (0.55) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL27680097 0.77 AVPR2 (0.46) MEN1KMT2ACYP3A4TSHRMAPT

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-4207327-A N-(4-Pyrazolidinyl)benzamides and their amino precursors A. H. ROBINS COMPANY, INC. (US) 1980-06-10 US disclosed