SCHEMBL9312935

SCHEMBL9312935

COCOc1ccc(C(CC=O)c2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
KCNA5 P22460 2/20 0.38
FFAR1 O14842 1/20 0.38
TBXAS1 P24557 2/20 0.37
ADRB3 P13945 4/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
ADRB1 P08588 2/20 0.35
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8317319 0.83 KCNA5 (0.40) PDE4DKCNA5FFAR1TBXAS1CFTR
SCHEMBL8313802 0.82 FFAR1 (0.53) PDE4DKCNA5FFAR1TBXAS1
SCHEMBL6509102 0.82 ADRB3 (0.38) PDE4DKCNA5ADRB3ADRB1ADRB2
SCHEMBL9313089 0.82 PDE4D (0.45) PDE4DKCNA5TBXAS1CFTRSLC6A2
SCHEMBL9311940 0.81 HRH1 (0.42) PDE4DKCNA5FFAR1TBXAS1CFTR
SCHEMBL8775847 0.81 CFTR (0.53) KCNA5TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL8319920 0.81 PDE4D (0.48) PDE4DKCNA5FFAR1TBXAS1MAPT
SCHEMBL8317214 0.80 PBRM1 (0.42) PDE4DKCNA5FFAR1CFTRSLC6A2
Ammonia Solution, Strong SCHEMBL8317322 0.78 TBXAS1 (0.44) KCNA5TBXAS1MAPT
SCHEMBL8318114 0.78 SMN1; SMN2 (0.57) ADRB3SLC6A2SLC6A4SLC6A3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed