SCHEMBL7284619

SCHEMBL7284619

CC(C)c1cccc2c(=O)cc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 1/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ DAO P14920 1/20 0.41
▸ LMNA P02545 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL8601952 0.79 ALDH1A1 (0.38) DAOLMNAFAAHCA1CA2
SCHEMBL15371410 0.76 CCR8 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6363005 0.74 HSD17B10 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6363004 0.74 HSD17B10 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL2611040 0.73 AHR (0.50) DAOLMNAFAAHCA1CA2
SCHEMBL18999655 0.73 PARP14 (0.50) DAOLMNAFAAHCA1CA2
SCHEMBL1245388 0.73 CCR8 (0.61) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL22492418 0.73 CCR8 (0.55) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL18379195 0.73 PARP1 (0.55) KMT2AKDM4EHSD17B10LMNACYP1A2
SCHEMBL11205036 0.72 CCR8 (0.67) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 — — EP claimed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 — — EP claimed
WO-2023004382-A1 SUBSTITUTED HETERO-BICYCLOCOMPOUNDS AS SUBTYPE SELECTIVE NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-01-26 — — WO disclosed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 — — EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 — — US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 — — EP disclosed
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