SCHEMBL9847731

SCHEMBL9847731

Nc1ccccc1Nc1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.67
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
EGFR P00533 1/20 0.54
HDAC3 O15379 1/20 0.54
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51
TSHR P16473 1/20 0.51
CASP1 P29466 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL16657361 0.84 EGFR (0.51) MAPK14HDAC1HDAC2EGFRMAPT
SCHEMBL29581611 0.83 MAPK14 (0.56) MAPK14HDAC1HDAC2EGFRHDAC3
SCHEMBL28141830 0.82 ABCB1 (0.55) MAPK14EGFRMAPTSMN1; SMN2ALDH1A1
SCHEMBL28288683 0.82 NPC1 (0.51) MAPK14EGFRMAPTALDH1A1HTT
SCHEMBL18796082 0.81 NPSR1 (0.53) MAPK14HDAC1HDAC2MAPTKDM4E
SCHEMBL379439 0.80 GRM4 (0.57) MAPK14EGFRMAPTKDM4ETP53
SCHEMBL1008997 0.79 NPC1 (0.58) EGFRMAPTKDM4ETP53SMN1; SMN2
SCHEMBL1011248 0.79 PABPC1 (0.59) EGFRMAPTKDM4ETP53SMN1; SMN2
SCHEMBL4944938 0.79 MAPK14 (0.67) MAPK14MAPTKDM4ETP53SMN1; SMN2
SCHEMBL29581107 0.78 MAPK14 (0.49) MAPK14HDAC1HDAC2HDAC3MAPT

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-0432091-A1 Heat sensitive recording material CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed