SCHEMBL11512682

SCHEMBL11512682

CCCCCCCCCCCCSc1nncn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 6/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL11510982 0.87 SMN1; SMN2 (0.50) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL11509397 0.83 ALDH1A1 (0.52) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL11512125 0.75 ALDH1A1 (0.48) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL17761121 0.74 ALDH1A1 (0.68) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL24305911 0.74 ALDH1A1 (0.68) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL11509941 0.73 MAPT (0.37) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL11511738 0.73 KMT2A (0.48) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL16526226 0.72 ALDH1A1 (0.70) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL11512132 0.71 DRD2 (0.78) KMT2AALDH1A1MAPTGAAHPGD
SCHEMBL11512018 0.69 NPC1 (0.54) KMT2AALDH1A1MAPTGAAHPGD

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-4178253-A 1,2,4-TRIAZOLE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed