SCHEMBL11017825

SCHEMBL11017825

O=c1ccc(C=Cc2ccc(-n3ccnc3)s2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 7/20 0.46
▸ PDE3A Q14432 7/20 0.46
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ PDE2A O00408 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ TBXAS1 P24557 2/20 0.32

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
SCHEMBL11017821 1.00 PDE3B (0.46) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11020022 0.78 PDE3B (0.50) PDE3BPDE3APDE2APRMT5WDR77
SCHEMBL11020025 0.78 PDE3B (0.50) PDE3BPDE3APDE2APRMT5WDR77
SCHEMBL11017610 0.78 PDE3B (0.60) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11017607 0.78 PDE3B (0.60) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11016210 0.78 PDE3B (0.50) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL11016212 0.78 PDE3B (0.50) PDE3BPDE3ALMNAKDM4ECYP1A2
SCHEMBL10648271 0.77 PDE3A (0.59) PDE3BPDE3ALMNACYP1A2RAB9A
SCHEMBL10365361 0.73 CYP11B1 (0.42) LMNACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL11017552 0.72 PDE3B (0.65) PDE3BPDE3ALMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150463-A1 Substituted 4.5-dihydro-6-vinyl-3(2H)-pyridazinones and 6-vinyl-3(2H)-pyridazinones and process for producing the same A. Nattermann & Cie. GmbH (DE) 1985-08-07 — — EP disclosed
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