SCHEMBL2942183

SCHEMBL2942183

N#Cc1ccc(C(=O)c2ccc(C#N)cc2)cc1.O=C(C1=CCC(Br)(Br)C=C1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
GSK3B P49841 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SRD5A2 P31213 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
SCHEMBL659657 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL7856777 0.77 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL3215328 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAL3MBTL1GSK3B
SCHEMBL5435458 0.74 ALDH1A1 (0.38) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL830474 0.74 CES2 (0.45) ALDH1A1MAPTLMNAL3MBTL1GSK3B
SCHEMBL11743114 0.74 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL27480528 0.74 ALDH1A1 (0.41) ALDH1A1MAPTLMNAL3MBTL1KMT2A
SCHEMBL7423422 0.73 ALDH1A1 (0.39) ALDH1A1MAPTLMNAL3MBTL1GSK3B
SCHEMBL28642593 0.73 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1POLBATM
SCHEMBL29136467 0.72 SRD5A2 (0.40) ALDH1A1MAPTLMNAL3MBTL1KMT2A

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-2212301-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES Fresenius Kabi Oncology Limited (IN) 2010-08-04 EP disclosed
WO-2009069140-A1 AN IMPROVED PROCESS FOR PREPARATION OF LETROZOLE AND ITS INTERMEDIATES DABUR PHARMA LIMITED (IN) 2009-06-04 WO disclosed