SCHEMBL5802155

SCHEMBL5802155

OCc1cc(-c2cc(F)ccc2F)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.35
TSPO P30536 1/20 0.35
P2RY14 Q15391 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
THRB P10828 1/20 0.34
CYP11B1 P15538 1/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4275449 0.82 NOTUM (0.60) NOTUMRAB9ANPC1LMNASMN1; SMN2
SCHEMBL5306222 0.81 NOTUM (0.53) NOTUMRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL18490185 0.81 NOTUM (0.46) NOTUMRAB9ANPC1ALDH1A1CYP11B1
SCHEMBL5309293 0.79 NOTUM (0.45) NOTUMRAB9ANPC1CYP2C9TSPO
SCHEMBL16111316 0.78 NOTUM (0.60) NOTUMRAB9ANPC1ALDH1A1CYP2C9
SCHEMBL103310 0.78 NOTUM (0.70) NOTUMRAB9ANPC1CYP2C9TSPO
SCHEMBL4683349 0.75 NOTUM (0.66) NOTUMRAB9ANPC1ALDH1A1CYP2C9
SCHEMBL2891062 0.75 NOTUM (0.51) NOTUMRAB9ANPC1CYP2C9TSPO
SCHEMBL20845555 0.74 NOTUM (0.67) NOTUMRAB9ANPC1CYP2C9TSPO
SCHEMBL1751803 0.73 NOTUM (0.58) NOTUMRAB9ANPC1ALDH1A1CYP2C9

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
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed