SCHEMBL10371772

SCHEMBL10371772

CC(=O)c1cc(C)n(-c2ccc(C3=NNC(=O)CC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 13/20 0.56
▸ PDE3A Q14432 13/20 0.56
▸ PDE2A O00408 3/20 0.55
▸ PDE1A P54750 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ PDE4A P27815 5/20 0.46
▸ PDE4B Q07343 5/20 0.46
▸ PDE4C Q08493 5/20 0.46
▸ PDE4D Q08499 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 2/20 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
SCHEMBL7280962 0.72 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10353452 0.71 SMN1; SMN2 (0.81) PDE3BPDE3APDE2APDE4APDE4B
SCHEMBL7288026 0.71 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11035016 0.70 SMN1; SMN2 (0.68) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL6495298 0.69 SMN1; SMN2 (0.60) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10371773 0.68 TSHR (0.32) TSHR
SCHEMBL9631025 0.68 SMN1; SMN2 (0.55) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL6559298 0.68 KCNH2 (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10745350 0.68 MAPT (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8481664 0.68 LMNA (0.56) PDE3BPDE3APDE2APDE1APDE1B

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-0231744-B1 SUBSTITUTED PYRROL-1-YLPHENYLDIHYDROPYRIDAZINONES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1990-05-30 — — EP disclosed
EP-0231744-A1 Substituted pyrrol-1-ylphenyldihydropyridazinones, their preparation and use BASF Aktiengesellschaft (DE) 1987-08-12 — — EP disclosed
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