SCHEMBL9479014

SCHEMBL9479014

N#Cc1ccccc1-c1ccc(CNc2c(NCc3ccccc3)ccn(Cc3cccs3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
POLB P06746 3/20 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
SCHEMBL9478800 0.75 AGTR1 (0.38) LMNAPOLBAGTR1AGTR2MAPT
SCHEMBL9478463 0.74 MAPT (0.41) LMNAHSD17B10HPGDPOLBMAPT
SCHEMBL8095006 0.72 HSD17B10 (0.48) ALDH1A1TSHRHSD17B10CLK4MEN1
SCHEMBL8953484 0.71 MYC (0.38) ALDH1A1TSHRHSD17B10CLK4MEN1
SCHEMBL9340760 0.67 ACHE (0.49) AGTR1
SCHEMBL20183521 0.66 HSD17B10 (0.53) ALDH1A1TSHRHSD17B10CLK4MEN1
SCHEMBL9034499 0.64 BDKRB1 (0.46) ALDH1A1TSHRHSD17B10CLK4MEN1
SCHEMBL14329705 0.63 EGLN1 (0.57) ALDH1A1KDM4EPOLBCNR2
SCHEMBL9532902 0.63 MYC (0.43) ALDH1A1LMNATSHRHSD17B10CLK4
SCHEMBL31006531 0.63 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10CLK4MEN1

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-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 US disclosed