SCHEMBL21172602

SCHEMBL21172602

CC[C@H]1C(C)Cc2cc(C(=O)NC)ccc2N1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.37
BRD4 O60885 5/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRD1 P41143 1/20 0.36
DRD2 P14416 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
PLK1 P53350 1/20 0.35
PKLR P30613 1/20 0.35

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
SCHEMBL21172676 1.00 MAPT (0.38) MAPTHPGDNOTUMBRD4KMT2A
SCHEMBL21172568 0.88 SMYD3 (0.38) MAPTHPGDBRD4ALDH1A1LMNA
SCHEMBL30083874 0.86 TDP1 (0.41) MAPTHPGDNOTUMBRD4KMT2A
SCHEMBL21172800 0.86 TDP1 (0.41) MAPTHPGDNOTUMBRD4KMT2A
SCHEMBL21172785 0.86 MAPT (0.36) MAPTHPGDNOTUMKMT2ATNF
SCHEMBL21172665 0.86 HTT (0.42) HPGDBRD4ALDH1A1LMNAHTT
SCHEMBL21172682 0.86 HTT (0.42) HPGDBRD4ALDH1A1LMNAHTT
SCHEMBL21173000 0.85 KDM4E (0.41) MAPTHPGDNOTUMBRD4KMT2A
SCHEMBL21172528 0.85 MAPT (0.41) MAPTHPGDNOTUMBRD4KMT2A
SCHEMBL24348129 0.85 ACSS2 (0.38) MAPTHPGDBRD4KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed