SCHEMBL10653471

SCHEMBL10653471

CC(C)NC(=NC#N)Nc1ccc(C2=NNC(=O)CC2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
LMNA P02545 1/20 0.66
BLM P54132 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
PDE3B Q13370 16/20 0.61
PDE3A Q14432 16/20 0.61
TNNC1 P63316 1/20 0.61
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE2A O00408 1/20 0.41

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
Siguazodan SCHEMBL5170622 0.88 KDM4E (0.70) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
Siguazodan SCHEMBL6558367 0.88 KDM4E (0.70) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10652569 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10762684 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10651830 0.84 KDM4E (0.67) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10764400 0.84 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10765447 0.84 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10764489 0.83 KDM4E (0.63) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10652516 0.82 KDM4E (0.62) KDM4EALDH1A1CYP1A2CYP3A4ALOX15
SCHEMBL10999721 0.82 PDE3B (0.67) KDM4EALDH1A1CYP1A2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150937-B1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-14 EP claimed
EP-0150937-A2 Dihydropyridazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-07 EP claimed
EP-0150937-B1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-09-14 EP disclosed
EP-0150937-A2 Dihydropyridazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-08-07 EP disclosed
WO-1985003076-A1 DIHYDROPYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-07-18 WO disclosed