SCHEMBL8532144

SCHEMBL8532144

O=c1c(CO)c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
MAT2A P31153 1/20 0.40
CYP19A1 P11511 4/20 0.40
RHEB Q15382 1/20 0.38
TACR1 P25103 1/20 0.38
GPR183 P32249 1/20 0.38

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
SCHEMBL8536709 0.92 CYP1A2 (0.43) MAT2ACYP19A1RHEBTACR1DHODH
SCHEMBL8514278 0.86 KIF11 (0.42) MAT2ATACR1DHODH
SCHEMBL8535303 0.86 MAT2A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8514142 0.83 ALOX5 (0.48)
SCHEMBL8537300 0.80 KIF11 (0.46) MAT2ATACR1DHODH
SCHEMBL8532926 0.78 MAT2A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8538786 0.77 MAT2A (0.45) MAT2ARHEBCNR1
SCHEMBL8537070 0.76 MAT2A (0.57) MAT2ACYP19A1RHEBDHODH
SCHEMBL20983232 0.76 MAT2A (0.55) MAT2A
SCHEMBL8537609 0.76 KIF11 (0.44) MAT2ATACR1DHODHCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed