SCHEMBL9070322

SCHEMBL9070322

[CH]1C=CN=C(N2CCCCC2)N1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL4417432 0.82 CHKA (0.32) CHKASMN1; SMN2USP2TDP1HPGD
SCHEMBL7710235 0.77 KDM4E (0.44) SMN1; SMN2USP2
SCHEMBL17065181 0.63
SCHEMBL28059174 0.62 DYRK3 (0.30)
SCHEMBL17065184 0.60
SCHEMBL28059175 0.59
SCHEMBL14675777 0.59 POLB (0.32) HPGD
SCHEMBL26599287 0.59 CHRNB2 (0.35) CHKASMN1; SMN2USP2TDP1HPGD
SCHEMBL1408936 0.57 HPGD (0.35) CHKASMN1; SMN2USP2TDP1HPGD
SCHEMBL13460691 0.57 USP2 (0.45) CHKASMN1; SMN2USP2TDP1

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-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed