SCHEMBL11111028

SCHEMBL11111028

Nc1nc(Cl)nc2c1SCCC2

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ TNKS O95271 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ PDE4B Q07343 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL7389179 0.81 TNKS (0.33) TNKSPARP1WNT3ATNKS2PARP2
SCHEMBL10569746 0.78 TNKS (0.31) TNKSPARP1WNT3ATNKS2PARP2
SCHEMBL11035315 0.74 KDM4E (0.35) APOBEC3AAPOBEC3GNOS3NOS1NOS2
SCHEMBL11112029 0.74 PDE4B (0.35) PDE4BPDE4D
SCHEMBL11102672 0.73 ALDH1A1 (0.35) PDE4BPDE4DALDH1A1MAPK1
SCHEMBL11104756 0.68 PDE4B (0.36) PDE4BPDE4DMAPK1
SCHEMBL9383054 0.68 HTR2C (0.45) PDE4BPDE4DALDH1A1
SCHEMBL10572515 0.68 SMN1; SMN2 (0.41) —
SCHEMBL11101187 0.68 KMT2A (0.46) —
SCHEMBL11107458 0.68 SMN1; SMN2 (0.39) ALDH1A1

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
US-4435566-A HYPOGLYCEMIA, ANTIHISTAMINE, ANTIDIABETIC ACTIVITY MARUKO SEIYAKU CO., LTD. (JP) 1984-03-06 — — US disclosed
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