SCHEMBL7942523

SCHEMBL7942523

COc1ccccc1Nc1nc(Cl)nc2c(Nc3ccccc3OC)ncnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 4/20 0.51
HTT P42858 1/20 0.49
KHK P50053 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EGFR P00533 2/20 0.47
LRRK2 Q5S007 1/20 0.47
ABL1 P00519 1/20 0.46
YES1 P07947 1/20 0.46
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 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
SCHEMBL7937566 0.85 MAPT (0.54) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL9776713 0.78 MAPT (0.58) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL30395442 0.75 LRRK2 (0.65) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL2060438 0.75 LRRK2 (0.65) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL22606149 0.74 CDK5 (0.65) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL27751334 0.74 MAPT (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL3106418 0.74 MAPT (0.69) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL10501815 0.73 KHK (0.46) SMN1; SMN2TSHRHSD17B10LMNAHTT
SCHEMBL2843128 0.73 ALK (0.58) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4922231 0.73 EGFR (0.52) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2

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-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed