SCHEMBL9640458

SCHEMBL9640458

O=C(O)N(c1conn1)c1ncccn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NAPRT Q6XQN6 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
SCHEMBL9431613 0.69 NAPRT (0.37) HTTNPSR1NAPRT
SCHEMBL935444 0.62 HTT (0.54) HTTNPSR1NAPRT
Benzene SCHEMBL28149441 0.61 KDM4E (0.41) NAPRT
SCHEMBL18143574 0.59 KDM4E (0.46) NPSR1NAPRT
SCHEMBL10855054 0.58 NPSR1 (0.50) HTTNPSR1NAPRT
Hydrochloric Acid SCHEMBL6437550 0.58 ALDH1A1 (0.41) HTTNAPRT
SCHEMBL4446470 0.58 NAPRT (0.43) NPSR1NAPRT
SCHEMBL6500461 0.58 KDM4E (0.40) NPSR1NAPRT
SCHEMBL3840073 0.58 MEN1 (0.42) HTTNPSR1
SCHEMBL9742065 0.56 NPSR1 (0.50) HTTNPSR1NAPRT

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-0315648-B1 SEBUM-DISSOLVING NONAQUEOUS MINOXIDIL FORMULATION THE UPJOHN COMPANY (US) 1992-04-01 EP disclosed