SCHEMBL9447398

SCHEMBL9447398

Cc1ccc(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
ALDH1A1 P00352 6/20 0.35
TSHR P16473 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 4/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PTGS2 P35354 2/20 0.32
AGT P01019 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL23357842 0.83 ALDH1A1 (0.42) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL9235857 0.80 MEN1 (0.42) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL976147 0.79 LMNA (0.47) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL9025603 0.79 MEN1 (0.41) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL9025749 0.78 AGTR1 (0.43) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL2447241 0.76 KCNN4 (0.43) AGTR1AGTR2ALDH1A1TSHRMEN1
SCHEMBL7611179 0.75 MAOA (0.43) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL7196989 0.75 AGTR1 (0.41) AGTR1AGTR2ALDH1A1TSHRL3MBTL1
SCHEMBL7393388 0.74 AGTR1 (0.44) AGTR1AGTR2TP53AGTMAPT
SCHEMBL3838617 0.74 AGTR1 (0.41) AGTR1AGTR2ALDH1A1TSHRL3MBTL1

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-5274104-A N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders ELF SANOFI, A FRENCH CORP. (FR) 1993-12-28 US disclosed