SCHEMBL11260068

SCHEMBL11260068

CCCCNC(=N)Sc1nc2ccccc2nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PRNP P04156 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ASAH1 Q13510 1/20 0.39
TSHR P16473 2/20 0.38
NEDD4 P46934 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL11268644 0.80 RXFP1 (0.42) RXFP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL11252283 0.78 KDM4E (0.42) RXFP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL11264828 0.69 ALDH1A1 (0.41) RXFP1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL27575155 0.66 ALDH1A1 (0.54) RXFP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL19001515 0.63 ALDH1A1 (0.49) RXFP1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL11251471 0.62 ALDH1A1 (0.41) RXFP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL15219369 0.62 ALDH1A1 (0.56) RXFP1TP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL21614331 0.61 BCHE (0.64) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL649985 0.61 NAAA (0.54) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL11328179 0.61 PDE10A (0.53) RXFP1ALDH1A1MAPTSMN1; SMN2HTT

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-4349674-A Quinoalinyl esters of carbamimidothioic acids AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-14 US disclosed