SCHEMBL7749390

SCHEMBL7749390

O=C(O)c1ccccc1-c1ncccc1C(=O)c1cccnc1-c1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAPRT Q6XQN6 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DHODH Q02127 2/20 0.47
MYC P01106 2/20 0.46
RORB Q92753 1/20 0.46
ALOX12 P18054 1/20 0.44
CYP2C9 P11712 1/20 0.44
CTSL P07711 1/20 0.43

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
SCHEMBL9265839 0.93 KDM4E (0.74) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL28618374 0.84 KDM4E (0.61) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL28265636 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL26919304 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL30555267 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL3820615 0.83 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL6876755 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL2555756 0.83 KDM4E (0.65) KDM4ETDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL6772447 0.81 RORB (0.58) KDM4ETDP1LMNASMN1; SMN2RORB
SCHEMBL10969548 0.79 RORB (0.60) KDM4ETDP1ALDH1A1ALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214996-B1 SHOWING EXCELLENT BRONCHIOCONSTRICTION INHIBITORY ACTIVITY,USEFUL IN THE PROPHYLAXIS OR TREATNEBT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 2001-04-10 US disclosed
US-6005106-A BRONCHOCONSTRICTOR AGENTS USEFUL IN THE TREATMENT OF ASTHMA TANABE SEIYAKU CO., LTD. (JP) 1999-12-21 US disclosed
US-5969140-A AMINOPYRIDINE DERIVATIVES OF NAPHTHALENE FOR TREATMENT OF ASTHMA AND BRONCHOCONSTRICTOR INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1999-10-19 US disclosed
EP-0748805-B1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO (JP) 1998-04-08 EP disclosed
EP-0748805-A1 Naphthalene derivatives, process for the preparation thereof, and intermediates therefor, and pharmaceutical compositions comprising them TANABE SEIYAKU CO., LTD. (JP) 1996-12-18 EP disclosed