SCHEMBL9752552

SCHEMBL9752552

Cc1nncc2cc3ccccn3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 8/20 0.37
MAPT P10636 5/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
MAPK14 Q16539 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 3/20 0.33
MAPK1 P28482 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32

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
SCHEMBL8581523 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL9752488 0.70 MAPT (0.37) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL19229363 0.68 KDM4E (0.38) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL26168101 0.67 MAPT (0.34) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL1105676 0.66 CYP2A6 (0.42) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL9752517 0.66 PTPN1 (0.35) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL22427835 0.66 MAPT (0.33) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL19233625 0.66 MAPT (0.33) ALDH1A1KDM4EMAPTL3MBTL1RAB9A
SCHEMBL20187380 0.63 EGFR (0.40) ALDH1A1KDM4EMAPTCHEK1LIMK1
SCHEMBL9752559 0.63 HTT (0.32) ALDH1A1KDM4EMAPTHPGDL3MBTL1

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
WO-1991010664-A1 PYRIDAZINO[4,5-b]INDOLIZINES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-07-25 WO disclosed