SCHEMBL9638923

SCHEMBL9638923

CCCCNC(=O)Nc1cc(Cl)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ EPHX2 P34913 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ EPHX1 P07099 4/20 0.45
▸ TLR8 Q9NR97 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 1/20 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
SCHEMBL8600881 0.79 TLR8 (0.69) SMN1; SMN2HTTCYP2D6CYP2C19NPC1
SCHEMBL26079933 0.76 EPHX1 (0.47) SMN1; SMN2HTTATMEPHX2NPC1
SCHEMBL15942896 0.76 CYP2D6 (0.51) SMN1; SMN2ATMCYP2D6CYP2C19MAPT
SCHEMBL11752857 0.75 CYP2D6 (0.64) SMN1; SMN2CYP2D6CYP2C19TLR8MAPT
SCHEMBL10988809 0.74 MAPT (0.51) SMN1; SMN2ATMCYP2D6CYP2C19MAPT
SCHEMBL7135338 0.74 CYP2D6 (0.62) SMN1; SMN2CYP2D6CYP2C19TLR8ALDH1A1
SCHEMBL7118699 0.74 CYP2D6 (0.62) SMN1; SMN2CYP2D6CYP2C19TLR8ALDH1A1
SCHEMBL7117794 0.74 CYP2D6 (0.62) SMN1; SMN2CYP2D6CYP2C19TLR8ALDH1A1
SCHEMBL7124897 0.74 CYP2D6 (0.62) SMN1; SMN2CYP2D6CYP2C19TLR8ALDH1A1
SCHEMBL16703349 0.74 CYP2D6 (0.62) SMN1; SMN2CYP2D6CYP2C19TLR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126453-A Chemical intermediate for Minoxidil L'OREAL (FR) 1992-06-30 — — US disclosed
US-5034387-A Applying to skins for hair growth and skin disorders L'OREAL (FR) 1991-07-23 — — US disclosed
US-4985563-A Hypotensive Agent; Reacting a Diaminopyrimidine with an Isocyanate, oxidation L'OREAL (FR) 1991-01-15 — — US disclosed
US-4945093-A SKIN DISORDERS, HAIR LOSS L'OREAL (FR) 1990-07-31 — — US disclosed
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