SCHEMBL8304430

SCHEMBL8304430

COc1c(N)ccc(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39

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
Hydrochloric Acid SCHEMBL8173396 0.98 ALDH1A1 (0.43) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21508511 0.83 ALDH1A1 (0.45) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1979957 0.81 CYP3A4 (0.43) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11484541 0.81 ALDH1A1 (0.48) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10944142 0.80 TUBB4A (0.42) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5270603 0.77 POLB (0.41) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25087165 0.77 TUBB4A (0.40) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19782651 0.77 TUBB4A (0.40) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5226504 0.76 ALDH1A1 (0.42) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25009959 0.76 ALDH1A1 (0.48) 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-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 WO disclosed