SCHEMBL13902467

SCHEMBL13902467

PN1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.67
NPC1 O15118 11/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
POLB P06746 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
TSHR P16473 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58

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
SCHEMBL8526236 0.84 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL6125228 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL11783793 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL7217567 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL1713549 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL21047628 0.82 RAB9A (0.65) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL9571707 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL2202283 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL29561851 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL809829 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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-7501421-B2 Benzoxazole and benzothiazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-03-10 US disclosed