SCHEMBL8041152

SCHEMBL8041152

CCN(C(C)=O)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
BCL2A1 Q16548 1/20 0.43
CYP3A4 P08684 3/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AURKA O14965 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 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
SCHEMBL27507824 0.85 BCL2A1 (0.43) TP53ALDH1A1BCL2A1LMNAESR1
SCHEMBL11064072 0.85 TP53 (0.54) TP53ALDH1A1GLATSHRBCL2A1
SCHEMBL9419140 0.84 LMNA (0.44) TP53ALDH1A1TSHRCYP3A4LMNA
SCHEMBL7104395 0.82 ALDH1A1 (0.41) TP53ALDH1A1BCL2A1MEN1KMT2A
SCHEMBL27478654 0.82 ALDH1A1 (0.42) TP53ALDH1A1BCL2A1CYP3A4LMNA
SCHEMBL27320089 0.81 TSHR (0.47) TP53ALDH1A1GLATSHRCYP3A4
SCHEMBL2754161 0.81 TP53 (0.46) TP53ALDH1A1GLATSHRBCL2A1
SCHEMBL28168927 0.81 TP53 (0.46) TP53ALDH1A1GLATSHRBCL2A1
SCHEMBL9081949 0.79 ALDH1A1 (0.46) TP53ALDH1A1GLATSHRCYP3A4
SCHEMBL7723689 0.79 LMNA (0.63) TP53ALDH1A1GLATSHRCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed
EP-0786483-A2 Process for an activated anionic lactam polymerisation EMS-INVENTA AG (CH) 1997-07-30 EP claimed
EP-0786482-B1 Liquid system for the anionic lactam polymerisation INVENTA AG (CH) 2000-08-16 EP disclosed
EP-0786482-A2 Liquid system for the anionic lactam polymerisation EMS-INVENTA AG (CH) 1997-07-30 EP disclosed
US-3972928-A Regulating plant growth with quaternary phosphonium aliphatic carboxamide salts BAYCHEM CORPORATION (US) 1976-08-03 US disclosed