SCHEMBL8363373

SCHEMBL8363373

CC1=c2c(cc3c(c2C)C=C(C(=O)OCc2ccccc2)N=3)N=C1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
RAB9A P51151 7/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
STAT1 P42224 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7966221 0.95 TDP1 (0.38) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL8911745 0.69 MAPT (0.36) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL1388443 0.68 DHODH (0.38) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL9434825 0.68 DHODH (0.38) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL9212581 0.67 DHODH (0.38) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL1388453 0.67 TDP1 (0.35) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL4933057 0.61 TDP1 (0.62) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL17965761 0.61 TDP1 (0.61) TDP1MAPTL3MBTL1ALDH1A1KMT2A
E1501 SCHEMBL29824487 0.61 ALDH1A1 (0.63) TDP1MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL19588519 0.61 ALDH1A1 (0.70) TDP1MAPTL3MBTL1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999045926-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AND IMMUNOMODULATORY AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 1999-09-16 WO disclosed