SCHEMBL7654069

SCHEMBL7654069

CCCCc1nc(C(c2ccc(-c3ccccc3C#N)cc2)c2cccs2)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.35
PPARG P37231 2/20 0.35
ACHE P22303 2/20 0.35
AGTR1 P30556 3/20 0.33
TRPA1 O75762 1/20 0.33
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL7657853 0.88 PPARG (0.39) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7650700 0.87 PPARG (0.37) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7659925 0.85 ACHE (0.43) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7651418 0.83 PPARG (0.36) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7659480 0.83 ACHE (0.36) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7659947 0.79 ACHE (0.38) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7650735 0.79 PPARG (0.39) APLNRPPARGACHEAGTR1TRPA1
SCHEMBL7652985 0.77
SCHEMBL7652695 0.76
SCHEMBL8298258 0.67 AGTR1 (0.54) PPARGAGTR1MEN1LMNATSHR

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-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed