SCHEMBL11550795

SCHEMBL11550795

NC(=O)c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 12/20 0.65
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
PGR P06401 2/20 0.53
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

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
SCHEMBL11554945 0.90 MAP2 (0.60) MAP2CA1CA2PGRKDM4E
SCHEMBL11554157 0.88 PGR (0.53) MAP2CA1CA2PGRKDM4E
SCHEMBL11551322 0.82 ALDH1A1 (0.66) MAP2PGRKDM4EALDH1A1HPGD
SCHEMBL215430 0.79 MAP2 (1.00) MAP2CA1CA2KDM4EALDH1A1
SCHEMBL11403058 0.77 MAP2 (1.00) MAP2CA1CA2KDM4EALDH1A1
SCHEMBL11555822 0.77 PGR (0.54) PGRMEN1KMT2A
SCHEMBL3878005 0.73 KDR (0.60) MAP2CA1CA2KDM4EALDH1A1
SCHEMBL18092674 0.72 MAPT (0.81) MAP2CA1CA2KDM4EALDH1A1
SCHEMBL14408800 0.72 CA1 (0.62) MAP2CA1CA2ALDH1A1MEN1
SCHEMBL1356850 0.71 ALDH1A1 (0.70) MAP2KDM4EALDH1A1HPGDMEN1

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-4156016-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed