SCHEMBL8301932

SCHEMBL8301932

CCOC(=O)c1cc(-n2cncn2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
HSP90AA1 P07900 1/20 0.55
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ESRRA P11474 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
F2 P00734 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7419149 0.80 JAK2 (0.53) MAPTSMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL8429265 0.80 SMN1; SMN2 (0.45) MAPTSMN1; SMN2HTTHSP90AA1ALDH1A1
SCHEMBL8296815 0.80 IP6K1 (0.51) MAPTSMN1; SMN2HTTHSP90AA1ALDH1A1
SCHEMBL5734578 0.79 MAPT (0.62) MAPTSMN1; SMN2HTTHSP90AA1ALDH1A1
SCHEMBL1824296 0.73 KDM4E (0.46) MAPTSMN1; SMN2HTTHSP90AA1ALDH1A1
SCHEMBL268116 0.73 IP6K1 (0.61) MAPTSMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL2404051 0.72 ALDH1A1 (0.64) MAPTSMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL11581128 0.72 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1HSD17B10RAB9A
SCHEMBL31032735 0.72 ALDH1A1 (0.64) MAPTSMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL9073929 0.72 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1HSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed