SCHEMBL7438839

SCHEMBL7438839

CC(=O)NCC(=O)c1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
ALDH1A1 P00352 2/20 0.50
PARP1 P09874 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
GPR139 Q6DWJ6 2/20 0.46
ATM Q13315 1/20 0.46
P2RX7 Q99572 1/20 0.46
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
ITGA5 P08648 1/20 0.44
CHRNB1 P11230 1/20 0.44

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
SCHEMBL11761251 0.85 ERCC5 (0.58) ERCC5FEN1ALDH1A1PARP1MEN1
SCHEMBL10783237 0.84 ERCC5 (0.54) ERCC5FEN1ALDH1A1PARP1MEN1
SCHEMBL10481543 0.83 ERCC5 (0.60) ERCC5FEN1ALDH1A1PARP1MEN1
SCHEMBL9878727 0.82 RAB9A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2GPR139
SCHEMBL7690326 0.82 ERCC5 (0.64) ERCC5FEN1ALDH1A1PARP1MEN1
SCHEMBL8858796 0.82 ERCC5 (0.59) ERCC5FEN1ALDH1A1MEN1KMT2A
SCHEMBL20245335 0.81 ERCC5 (0.51) ERCC5FEN1ALDH1A1PARP1MEN1
SCHEMBL7446526 0.81 KDM4E (0.51) ALDH1A1PARP1MEN1KMT2ASMN1; SMN2
SCHEMBL7431133 0.81 HDAC8 (0.51) PARP1MEN1KMT2ASMN1; SMN2ATM
SCHEMBL18410881 0.81 ERCC5 (0.62) ERCC5FEN1ALDH1A1PARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558756-B 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2021-08-03 CN disclosed
CN-108558756-A 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof 沈阳药科大学 2018-09-21 CN disclosed
US-5214059-A Dermatitis, psoriasis HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-25 US disclosed
US-5166170-A 2-(AMINOARYL) INDOLES AND INDOLINES AS TOPICAL ANTIINFLAMMATORY AGENTS FOR THE TREATMENT OF SKIN DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-11-24 US disclosed
EP-0406734-A2 2-(Aminoaryl)indoles and indolines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-09 EP disclosed
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed