SCHEMBL7286953

SCHEMBL7286953

O=c1ccc(-c2ccc(-n3ccnc3)cc2)nn1CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 4/20 0.51
▸ PDE3A Q14432 4/20 0.51
▸ ADH5 P11766 6/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 2/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7290491 0.80 PDE3B (0.57) PDE3BPDE3AADH5RAB9ASMN1; SMN2
SCHEMBL11245497 0.80 MAPT (0.50) SMN1; SMN2ALDH1A1KMT2ATSHRMEN1
SCHEMBL11399679 0.76 KDM4E (0.58) KMT2ATSHRMEN1HRH3LMNA
SCHEMBL3839136 0.75 KDM4E (0.60) KMT2ATSHRMEN1ALOX15CYP3A4
SCHEMBL11395281 0.74 KDM4E (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1HRH3
SCHEMBL11249160 0.72 MAPT (0.48) KMT2ATSHRMEN1HRH3PDE4A
SCHEMBL11242297 0.70 MAPT (0.47) KMT2ATSHRMEN1HRH3PDE4A
SCHEMBL11401220 0.69 SCN4A (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1HRH3
SCHEMBL11403350 0.69 TSHR (0.54) SMN1; SMN2ALDH1A1KMT2ATSHRMEN1
SCHEMBL2533488 0.69 TSHR (0.84) PDE3BPDE3AADH5RAB9ANPC1

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-0075436-A1 Substituted 4,5-dihydro-6-(substituted)-phenyl-3(2H)-pyridazinones and 6-(substituted)phenyl-3(2H)-pyridazinones WARNER-LAMBERT COMPANY (US) 1983-03-30 — — EP disclosed
US-4353905-A CARDIOTONIC AGENTS WARNER-LAMBERT COMPANY (US) 1982-10-12 — — US disclosed
Send feedback