SCHEMBL5028728

SCHEMBL5028728

COc1ccc(C2Sc3cc(C=O)ccc3N2Cl)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A3 P47895 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 1/20 0.33
▸ MAPT P10636 3/20 0.33

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
SCHEMBL23668098 0.70 NNMT (0.50) MEN1KMT2APABPC1NNMTSMN1; SMN2
SCHEMBL18397457 0.68 CSF1R (0.53) FDPSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL207440 0.67 KDM4E (0.59) ALDH1A1TSHRFDPSTUBB4ATUBB
SCHEMBL29501241 0.67 KDM4E (0.59) ALDH1A1TSHRFDPSTUBB4ATUBB
SCHEMBL18397112 0.63 CSF1R (0.56) —
SCHEMBL29858857 0.63 CSF1R (0.56) —
SCHEMBL21588142 0.63 CSF1R (0.52) —
SCHEMBL29858881 0.62 CSF1R (0.46) —
SCHEMBL18397064 0.62 CSF1R (0.46) —
SCHEMBL6213489 0.62 MKNK1 (0.57) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B

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
EP-1981883-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES AstraZeneca AB (SE) 2008-10-22 — — EP disclosed
WO-2007086800-A1 NOVEL HETEROARYL SUBSTITUTED BENZOTHIAZOLES ASTRAZENECA AB (SE) 2007-08-02 — — WO disclosed
Send feedback