SCHEMBL7366064

SCHEMBL7366064

O=c1c2cccnc2c(-c2ccc3c(c2)OCO3)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.53
TSHR P16473 3/20 0.53
USP2 O75604 2/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GLO1 Q04760 1/20 0.44
GAA P10253 3/20 0.44
PTGS2 P35354 1/20 0.43
KMT2A Q03164 3/20 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
SCHEMBL7368929 0.91 TSHR (0.50) NPSR1TSHRUSP2ATMALDH1A1
SCHEMBL7359586 0.82 PDE4A (0.57) NPSR1TSHRUSP2ALDH1A1KDM4E
SCHEMBL9168570 0.81 NPSR1 (0.56) NPSR1ALDH1A1KDM4EHTTADORA3
SCHEMBL7359530 0.80 PDE4A (0.48) TSHRALDH1A1KDM4EHSD17B10HTT
SCHEMBL7365103 0.80 GLO1 (0.46) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL7366959 0.78 L3MBTL1 (0.58) NPSR1ALDH1A1KDM4EPDE4APDE4B
SCHEMBL7363973 0.77 NPSR1 (0.50) NPSR1ALDH1A1KDM4EHTTPDE4A
SCHEMBL7359405 0.77 PDE4A (0.61) NPSR1TSHRUSP2ALDH1A1KDM4E
SCHEMBL7361880 0.77 PDE4A (0.67) ALDH1A1KDM4EHTTSMN1; SMN2PDE4A
SCHEMBL7367332 0.76 HTT (0.53) NPSR1ALDH1A1HTTADORA3PDE4A

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
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed