SCHEMBL9426430

SCHEMBL9426430

CC(=O)Nc1ccncc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 4/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 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
SCHEMBL14357917 0.85 HDAC1 (0.46) KDM4EALDH1A1GLAGAAMEN1
Hydrochloric Acid SCHEMBL29373586 0.84 HDAC1 (0.45) KDM4EALDH1A1GLAGAAMEN1
Hydrochloric Acid SCHEMBL5749683 0.84 HDAC1 (0.45) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL28824138 0.83 KDM4E (0.53) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL10338664 0.82 KDM4C (0.47) ALDH1A1GAAMEN1KDM6BMAPT
SCHEMBL15432244 0.82 KDM4E (0.56) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL1430982 0.81 HDAC1 (0.46) ALDH1A1MAPTHDAC1HDAC6CHUK
SCHEMBL3787548 0.81 CA1 (0.49) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL15432239 0.80 XIAP (0.45) KDM4EALDH1A1GLAGAAMEN1
SCHEMBL4139383 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4CTDP1

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-5371086-A Circulatory disorders side effect reduction THE GREEN CROSS CORPORATION (JP) 1994-12-06 US disclosed
US-5262415-A FOR TREATING DISEASES OF THE CIRCULATORY SYSTEM THE GREEN CROSS CORPORATION (JP) 1993-11-16 US disclosed
EP-0503627-A1 Aminopyridine compounds THE GREEN CROSS CORPORATION (JP) 1992-09-16 EP disclosed