SCHEMBL9589620

SCHEMBL9589620

CCCCNc1cc(C)nc(Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.66
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DNM2 P50570 7/20 0.50
▸ NR4A2 P43354 1/20 0.48
▸ ESR1 P03372 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39

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
SCHEMBL15585264 0.89 TLR8 (0.51) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL12330672 0.82 DNM2 (0.53) TLR8ALDH1A1DNM2ESR1KMT2A
SCHEMBL20476323 0.82 MAPT (0.50) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL16608857 0.81 ALDH1A1 (0.73) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL22228324 0.81 ALDH1A1 (0.54) TLR8ALDH1A1MAPK1HTTESR1
SCHEMBL9884955 0.81 SMN1; SMN2 (0.49) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL20434306 0.79 TLR8 (1.00) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL9590680 0.79 TLR8 (0.66) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL2578650 0.79 KMT2A (0.47) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL9313985 0.79 TLR8 (0.65) TLR8ALDH1A1LMNATP53TSHR

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-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 — — US disclosed
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