SCHEMBL11767136

SCHEMBL11767136

C#CC1=C(C)C(=Cc2ccc(Br)cc2)c2ccc(N(CC)CC)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
MAPT P10636 8/20 0.38
MAPK1 P28482 7/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
POLB P06746 4/20 0.38
HPGD P15428 4/20 0.38
THRB P10828 2/20 0.38
PKM P14618 2/20 0.38
MDM2 Q00987 2/20 0.38
GAA P10253 2/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RECQL P46063 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
USP2 O75604 2/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL11766076 0.89 PPARG (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11764175 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11766387 0.86 RXRA (0.47) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11763923 0.86 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11763808 0.84 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11764459 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11767110 0.82 PPARG (0.50) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11764094 0.81 MAPT (0.36) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11764971 0.79 AMY1A (0.38) MAPTL3MBTL1POLBMDM2RECQL
SCHEMBL11766698 0.78 PPARG (0.33) ALDH1A1MEN1KMT2AMAPTMAPK1

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-4061771-A Ethynylindenyl compounds and derivatives thereof used in the treatment of pain, fever and inflammation WILLIAM H. RORER, INC. (US) 1977-12-06 US disclosed
US-3983253-A Ethynylindenyl compounds and derivatives thereof used in the treatment of pain, fever and inflammation WILLIAM H. RORER, INC. (US) 1976-09-28 US disclosed