SCHEMBL7548249

SCHEMBL7548249

[C]1Cc2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.37
MAOB P27338 2/20 0.37
CES1 P23141 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL7548244 1.00 MAOA (0.37) MAOAMAOBCES1NPC1RAB9A
SCHEMBL8161643 0.83 MAOA (0.54) MAOAMAOBCES1NPC1RAB9A
SCHEMBL4822665 0.82 SRD5A1 (0.41) MAOAMAOBCES1NPC1RAB9A
SCHEMBL2144679 0.79
SCHEMBL9630603 0.79
SCHEMBL29283240 0.79 MAOA (0.35) MAOAMAOBCES1NPC1RAB9A
SCHEMBL2285719 0.77 CES1 (0.41) MAOAMAOBCES1NPC1RAB9A
SCHEMBL2952083 0.74 MAOA (0.44) MAOAMAOBCES1MAPTHPGD
SCHEMBL3922537 0.74 MAOA (0.42) MAOAMAOBCES1NPC1RAB9A
SCHEMBL1450361 0.71 MEN1 (0.38) MAOAMAOBCES1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077309-A Thromboxane a2 antagonist NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-12-31 US claimed
US-5055582-A Process for preparing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-10-08 US claimed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US claimed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP claimed
US-4596823-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1986-06-24 US claimed
EP-0819981-B1 Radiation sensitive resin composition JSR CORP (JP) 2002-06-05 EP disclosed
US-5952150-A COMPRISING A DISULFONYLMETHANE DERIVATIVE, A RESIN PROTECTED BY AN ACID DECOMPOSABLE GROUP OR AN ALKALI-SOLUBLE RESIN AND AN ALKALI SOLUBILITY CONTROL AGENT; PHOTORESISTS JSR CORPORATION (JP) 1999-09-14 US disclosed
EP-0819981-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-01-21 EP disclosed
US-5055582-A Process for preparing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-10-08 US disclosed
US-4992563-A Benzopyran intermediates for use in manufacturing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US disclosed
EP-0231078-B1 PROSTAGLANDINS NAT RES DEV (GB) 1990-04-25 EP disclosed