SCHEMBL8202035

SCHEMBL8202035

O=C(CCc1cccc2c(OCc3nnn[nH]3)cccc12)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
PARP1 P09874 3/20 0.36
PARP3 Q9Y6F1 3/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ABCB1 P08183 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 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
SCHEMBL693383 0.80 TDP1 (0.49) MAPTTDP1KDM4EFFAR4TSHR
SCHEMBL8202046 0.80 MAPT (0.42) MAPTTDP1KDM4EFFAR4TSHR
SCHEMBL8201828 0.79 MAPT (0.43) MAPTTDP1KDM4EFFAR4TSHR
SCHEMBL8206250 0.79 MAPT (0.47) MAPTTDP1KDM4EPARP1TSHR
SCHEMBL8204141 0.79 HTR1B (0.43) MAPTTDP1KDM4EFFAR4TSHR
SCHEMBL8201916 0.78 KMT2A (0.52) MAPTTDP1TSHRRAB9ACYP2C9
SCHEMBL8202181 0.78 TSHR (0.48) MAPTTDP1KDM4ETSHRKMT2A
SCHEMBL8202190 0.77 MAPK1 (0.43) MAPTTDP1KDM4ETSHRCYP3A4
SCHEMBL8202038 0.76 MAPT (0.40) MAPTTDP1KDM4ETSHRRAB9A
SCHEMBL8206771 0.75 MAPT (0.42) MAPTTDP1TSHRRAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US claimed
EP-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP claimed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP claimed
US-6013673-A ADMINISTERING AN EFFECTIVE AMOUNT OF A NAPHTHYLOXYACETIC ACID DERIVATIVE OR NONTOXIC ACID ADDITION SALT OR HYDRATE TO TREAT OR PREVENT ABORTION, PAINE, DIARRHEA, CATHARTICS, ULCER, GASTRITIS, HYPERTENSION AND THROMBOSIS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
EP-0719760-B1 Naphthalene derivatives and their use as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1999-09-22 EP disclosed
US-5753700-A ANALGESICS; CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0719760-A1 Naphthyloxyacetic acid derivatives and their use as PGW2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed