SCHEMBL9065442

SCHEMBL9065442

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
CYP19A1 P11511 3/20 0.42
KDM4E B2RXH2 2/20 0.40
SLC9A1 P19634 1/20 0.40
SLC9A3 P48764 1/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
APP P05067 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
GFER P55789 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 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
SCHEMBL9065444 1.00 AKR1C3 (0.45) AKR1C3CYP19A1KDM4ESLC9A1SLC9A3
SCHEMBL5830531 0.91 AKR1C3 (0.52) AKR1C3KDM4ESLC9A1SLC9A3SLC9A2
SCHEMBL5830527 0.91 AKR1C3 (0.52) AKR1C3KDM4ESLC9A1SLC9A3SLC9A2
SCHEMBL10976324 0.85 CYP19A1 (0.47) AKR1C3CYP19A1KDM4ESLC9A1SLC9A3
SCHEMBL10976321 0.85 CYP19A1 (0.47) AKR1C3CYP19A1KDM4ESLC9A1SLC9A3
SCHEMBL3033605 0.83 AKR1C3 (0.67) AKR1C3CYP19A1KDM4EALDH1A1APP
SCHEMBL956428 0.83 ALDH1A1 (0.59) AKR1C3KDM4EALDH1A1CA1CA2
SCHEMBL554423 0.83 AKR1C3 (0.45) AKR1C3KDM4ESLC9A1SLC9A3SLC9A2
SCHEMBL3033607 0.83 AKR1C3 (0.67) AKR1C3CYP19A1KDM4EALDH1A1APP
SCHEMBL26937824 0.83 AKR1C3 (0.45) AKR1C3KDM4ESLC9A1SLC9A3SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571642-A LIGHT SENSITIVE ELEMENTS WITH CHEMICAL RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1996-11-05 US disclosed
EP-0507008-B1 Lithographic printing plate based on a resin comprising aryldiazosulfonates AGFA GEVAERT NV (BE) 1995-06-07 EP disclosed
EP-0507008-A1 Lithographic printing plate based on a resin comprising aryldiazosulfonates AGFA-GEVAERT N.V. (BE) 1992-10-07 EP disclosed