SCHEMBL7365933

SCHEMBL7365933

COc1cc(OC)c(-c2nc(C)c(-c3cccnc3)[nH]2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
S1PR1 P21453 2/20 0.43
CYP19A1 P11511 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 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
SCHEMBL7365284 0.92 PDGFRB (0.51) PDGFRBPDGFRACYP11B1CYP11B2S1PR1
SCHEMBL7373890 0.87 PDGFRB (0.44) PDGFRBPDGFRACYP11B1CYP11B2CYP19A1
SCHEMBL7371110 0.85 PDGFRB (0.46) PDGFRBPDGFRACYP11B1CYP11B2TUBB4A
SCHEMBL10519398 0.84 PDGFRB (0.49) PDGFRBPDGFRACYP11B1CYP11B2CYP19A1
SCHEMBL7371101 0.84 PDGFRB (0.44) PDGFRBPDGFRACYP11B1CYP11B2S1PR1
SCHEMBL7371561 0.84 PDE2A (0.56) PDGFRBPDGFRACYP11B1CYP11B2CYP19A1
SCHEMBL10519411 0.83 PDGFRB (0.48) PDGFRBPDGFRACYP11B1CYP11B2TUBB4A
Hydrochloric Acid SCHEMBL7370882 0.83 PDE2A (0.55) PDGFRBPDGFRACYP11B1CYP11B2CYP19A1
SCHEMBL7376120 0.83 MAPT (0.47) PDGFRBPDGFRACYP11B1CYP11B2TUBB4A
SCHEMBL7370258 0.83 MKNK1 (0.46) PDGFRBPDGFRACYP11B1CYP11B2CYP19A1

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-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed