SCHEMBL9735684

SCHEMBL9735684

C=CCOc1ccc(-c2cc(N)n[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.59
LTA4H P09960 1/20 0.55
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
GFER P55789 1/20 0.49
MITF O75030 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL9736398 0.80 DYRK1A (0.69) DYRK1ALTA4HALDH1A1KMT2AMKNK1
SCHEMBL1143140 0.74 DYRK1A (1.00) DYRK1ALTA4HALDH1A1KMT2AMKNK1
Hydrochloric Acid SCHEMBL3260970 0.73 DYRK1A (0.97) DYRK1ALTA4HALDH1A1KMT2AMKNK1
SCHEMBL472165 0.73 CA12 (0.57) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL9065504 0.73 CA12 (0.57) ALDH1A1KMT2AMEN1USP2SMN1; SMN2
SCHEMBL1396265 0.73 CDK1 (0.36) DYRK1AALDH1A1KMT2AMKNK1MKNK2
SCHEMBL2303414 0.72 ALDH1A1 (0.67) DYRK1ALTA4HALDH1A1KMT2AMKNK1
SCHEMBL20554521 0.72 CA12 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL6962038 0.72 DYRK1A (0.71) DYRK1ALTA4HALDH1A1KMT2AMKNK1
SCHEMBL28573902 0.71 ALDH1A1 (0.71) DYRK1ALTA4HALDH1A1KMT2AMKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132424-A Anticholesterol, treatment of atherosclerosis THE UPJOHN COMPANY (US) 1992-07-21 US disclosed
EP-0425541-A1 PYRAZOLO-AZOLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1991-05-08 EP disclosed
WO-1990001031-A1 PYRAZOLO-PYRROLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1990-02-08 WO disclosed