SCHEMBL11622425

SCHEMBL11622425

CC(=O)Nc1ccc(CBr)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.46
ESRRA P11474 1/20 0.46
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL10619104 0.86 RORC (0.62) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL9756597 0.85 RORC (0.56) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL10577425 0.85 EPHX1 (0.46) SMN1; SMN2POLBL3MBTL1ALDH1A1MEN1
SCHEMBL27916473 0.83 RORC (0.55) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL1906950 0.82 RORC (0.54) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL27820437 0.81 RORC (0.56) RORCSMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL16620122 0.80 EPHX2 (0.57) SMN1; SMN2L3MBTL1MEN1MAPTKMT2A
SCHEMBL7366510 0.79 CA12 (0.44) SMN1; SMN2POLBIDO1MEN1KMT2A
SCHEMBL4548035 0.78 EPHX1 (0.70) RORCSMN1; SMN2POLBIDO1MEN1
SCHEMBL11000061 0.78 KMT2A (0.69) L3MBTL1ALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 US disclosed