SCHEMBL18083077

SCHEMBL18083077

Nc1cc2c(cc(N)c3nsnc32)c2nsnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ PTPN11 Q06124 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5513976 0.75 MAPT (0.58) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL20050519 0.72 MAPT (0.36) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL20043725 0.72 GAA (0.40) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL6722512 0.69 MAPT (0.47) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL18965674 0.69 MAPT (0.33) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL15249167 0.68 MEN1 (0.39) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19660997 0.68 — —
SCHEMBL21525934 0.68 — —
SCHEMBL12170101 0.68 KMT2A (0.38) MAPTPTPN11MEN1KMT2AAPAF1
SCHEMBL18909197 0.65 MAPT (0.39) MAPTPTPN11MEN1KMT2AAPAF1

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
EP-2772494-B1 BIBENZO[B]FURAN COMPOUND, PHOTOELECTRIC CONVERSION MATERIAL, AND PHOTOELECTRIC CONVERSION ELEMENT ADEKA CORP (JP) 2016-09-21 — — EP disclosed
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