SCHEMBL20055055

SCHEMBL20055055

CCCCc1ccc2nc(C(C)C)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.63
S1PR1 P21453 8/20 0.63
S1PR5 Q9H228 7/20 0.63
TUBB4A P04350 8/20 0.55
TUBB P07437 8/20 0.55
TUBA3C P0DPH7 8/20 0.55
TUBA1B P68363 8/20 0.55
TUBA4A P68366 8/20 0.55
TUBB4B P68371 8/20 0.55
TUBB3 Q13509 8/20 0.55
TUBB2A Q13885 8/20 0.55
TUBB8 Q3ZCM7 8/20 0.55
TUBA3E Q6PEY2 8/20 0.55
TUBA1A Q71U36 8/20 0.55
TUBA1C Q9BQE3 8/20 0.55
TUBB6 Q9BUF5 8/20 0.55
TUBB2B Q9BVA1 8/20 0.55
TUBB1 Q9H4B7 8/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL10141265 0.84 ALDH1A1 (0.60) S1PR4S1PR1S1PR5ALDH1A1ALOX15
SCHEMBL20055168 0.83 MPL (0.47) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL18462602 0.82 S1PR4 (0.67) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL13034836 0.80 ALDH1A1 (0.59) S1PR4S1PR1S1PR5ALDH1A1ALOX15
SCHEMBL8192405 0.80 ALDH1A1 (0.59) S1PR4S1PR1S1PR5ALDH1A1ALOX15
SCHEMBL4240625 0.80 ALDH1A1 (0.63) S1PR4S1PR1S1PR5ALDH1A1ALOX15
SCHEMBL8083831 0.79 TUBB4A (0.55) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL3500728 0.79 S1PR4 (0.59) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL14450648 0.78 S1PR4 (1.00) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL9295731 0.78 MPL (0.67) S1PR4S1PR1S1PR5TUBB4ATUBB

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-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed