SCHEMBL8202038

SCHEMBL8202038

O=C(CCc1cccc2c(OCn3cnnn3)cccc12)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 3/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLA2G2A P14555 1/20 0.38
HMOX1 P09601 1/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
ABCB1 P08183 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PTPN1 P18031 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) MAPTTDP1KMT2AL3MBTL1MEN1
SCHEMBL8201828 0.79 MAPT (0.43) MAPTTDP1TP53KMT2AL3MBTL1
SCHEMBL8206250 0.78 MAPT (0.47) MAPTTDP1KMT2ARAB9AMEN1
SCHEMBL8204141 0.78 HTR1B (0.43) MAPTTDP1TP53CYP3A4CYP2D6
SCHEMBL8201916 0.77 KMT2A (0.52) MAPTTDP1TP53CYP2C9KMT2A
SCHEMBL8202181 0.77 TSHR (0.48) MAPTTDP1KMT2ANPC1MEN1
SCHEMBL8202046 0.77 MAPT (0.42) MAPTTDP1TP53CYP3A4CYP2D6
SCHEMBL8202035 0.76 MAPT (0.41) MAPTTDP1CYP3A4CYP2D6CYP2C9
SCHEMBL8202190 0.76 MAPK1 (0.43) MAPTTDP1CYP3A4CYP2C9CYP2C19
SCHEMBL8206771 0.75 MAPT (0.42) MAPTTDP1CYP3A4CYP2D6RAB9A

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