SCHEMBL11246786

SCHEMBL11246786

Cc1ccc(-c2nccc3c(CC(=O)O)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 6/20 0.44
GFER P55789 3/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.41
MAPT P10636 4/20 0.40
CYP1A2 P05177 2/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11251835 0.89 TDP1 (0.54) POLBTDP1KDM4EPTGDR2MAPT
SCHEMBL11262804 0.86 TDP1 (0.45) POLBTDP1KDM4EPTGDR2MAPT
SCHEMBL11261678 0.86 TDP1 (0.45) LMNAPOLBRAB9ATDP1KDM4E
SCHEMBL11255704 0.86 PTGDR2 (0.49) POLBTDP1KDM4EPTGDR2MAPT
SCHEMBL11257116 0.86 KMT2A (0.39) LMNAPOLBRAB9AALDH1A1MEN1
SCHEMBL11258880 0.86 MMP2 (0.51) TDP1KDM4EPTGDR2ALDH1A1HPGD
SCHEMBL11259158 0.86 TDP1 (0.42) LMNAPOLBTDP1KDM4EPTGDR2
SCHEMBL11250186 0.86 PTGDR2 (0.43) LMNAPOLBTDP1KDM4EPTGDR2
SCHEMBL11251095 0.85 ALDH1A1 (0.47) LMNAPOLBTDP1KDM4EMAPT
SCHEMBL11254310 0.84 MEN1 (0.43) LMNARAB9AKDM4EMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US claimed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP claimed
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed