SCHEMBL9044156

SCHEMBL9044156

O=C1c2ccccc2CSc2ccc(Br)cc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ AKR1B1 P15121 1/20 0.49
▸ ACHE P22303 1/20 0.47
▸ MAPK14 Q16539 1/20 0.46
▸ PTPRC P08575 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B3 P37058 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ CES1 P23141 1/20 0.39
▸ S100A4 P26447 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ MIF P14174 1/20 0.38

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
SCHEMBL86330 0.88 TDP1 (0.59) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL7243476 0.84 ALDH1A1 (0.54) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL31123671 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL86279 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL31510701 0.81 ACHE (0.59) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL91640 0.81 VHL (0.51) L3MBTL1AKR1B1ACHEMAPK14HSD17B3
SCHEMBL85994 0.81 AKR1B1 (0.49) AKR1B1ACHEMAPK14HSD17B3MAOA
SCHEMBL11873711 0.81 ELANE (0.51) TDP1AKR1B1ACHEMAPK14HSD17B3
SCHEMBL86390 0.81 AKR1B1 (0.49) TDP1L3MBTL1AKR1B1ACHEMAPK14
SCHEMBL11481280 0.78 MAPT (0.57) TDP1L3MBTL1AKR1B1ACHEMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345747-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1996-06-26 — — EP disclosed
EP-0312051-B1 Tricyclic compounds KYOWA HAKKO KOGYO KK (JP) 1994-08-17 — — EP disclosed
US-5302596-A DIBENZO-CYCLOHEPTENES,-OXEPINS AND-THIEPINS SUBSTITUTED BY A HETEROCYCLO-ALKYL KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-12 — — US disclosed
US-5242931-A Antiischemic agents and cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-07 — — US disclosed
US-5118701-A Antiischemic agents, anticoagulants KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-06-02 — — US disclosed
US-5010087-A Cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 — — US disclosed
US-5010104-A Antiischemic agent, cardiovascular disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-04-23 — — US disclosed
US-4999363-A Inhibit biosynthesis of thromboxane A2 KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-03-12 — — US disclosed
EP-0345747-A2 Tricyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-13 — — EP disclosed
US-4882351-A CARDIOVASCULAR DISORDERS; ROUSSEL UCLAF (FR) 1989-11-21 — — US disclosed
EP-0312051-A2 Tricyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-04-19 — — EP disclosed
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