SCHEMBL11070060

SCHEMBL11070060

CCOC(=O)c1nc2c(nc1N)CCN(C(=O)OCC)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 3/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 1/20 0.39
CHRM1 P11229 1/20 0.39
GRM5 P41594 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ABL1 P00519 1/20 0.38

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
Hydrochloric Acid SCHEMBL11073940 0.84 LMNA (0.47) KDM4EMAPTALDH1A1HSD17B10HTT
SCHEMBL11066127 0.76 SMN1; SMN2 (0.45) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL2843820 0.76 ALDH1A1 (0.59) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL10272389 0.71 GRM5 (0.45) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL1713222 0.70 TSHR (0.57) KDM4EGAAMAPTALDH1A1HTT
SCHEMBL915018 0.70 GAA (0.45) KDM4EGAAMAPTALDH1A1HTT
SCHEMBL2078431 0.69 SMYD3 (0.47) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL1670363 0.69 RAD52 (0.56) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL5880357 0.69 KDM4E (0.48) KDM4EMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL158497 0.69 TSHR (0.55) KDM4EGAAMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486433-A SLOWING HEART RATE DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-04 US disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 US disclosed