SCHEMBL9045008

SCHEMBL9045008

COC1c2ccccc2CSc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.43
▸ MAPT P10636 6/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ RCE1 Q9Y256 2/20 0.39
▸ GAA P10253 4/20 0.38
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 5/20 0.35
▸ LMNA P02545 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAD52 P43351 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.32
▸ SLC9A3 P48764 1/20 0.32
▸ AR P10275 1/20 0.32

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
SCHEMBL9046179 0.80 MAPT (0.50) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL10447212 0.76 DRD2 (0.39) DRD2MAPTALDH1A1TDP1HPGD
SCHEMBL10526592 0.75 TBXA2R (0.52) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL9046208 0.74 ALDH1A1 (0.47) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL16385821 0.73 DRD2 (0.39) DRD2MAPTALDH1A1TDP1HPGD
SCHEMBL10444683 0.73 DRD2 (0.37) DRD2MAPTALDH1A1TDP1HPGD
SCHEMBL10446740 0.70 DRD2 (0.37) DRD2MAPTALDH1A1TDP1HPGD
SCHEMBL11463305 0.67 HSD17B3 (0.48) MAPTALDH1A1TDP1HPGDALOX12
SCHEMBL7526606 0.66 ALDH1A1 (0.50) DRD2MAPTALDH1A1TDP1HPGD
SCHEMBL23546244 0.66 ALDH1A1 (0.62) DRD2MAPTALDH1A1TDP1HPGD

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 10 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-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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