SCHEMBL8534119

SCHEMBL8534119

CN1CCN(c2ccc3c(=O)cc(-c4ccc(Cc5ccc(OC(F)(F)F)cc5)cc4)[nH]c3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.44
MAP4K1 Q92918 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TRPV4 Q9HBA0 3/20 0.42
KIF11 P52732 2/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
NTRK1 P04629 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39

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
SCHEMBL8535103 0.93 TUBB4A (0.48) IMPDH2MAP4K1ALDH1A1MEN1KMT2A
SCHEMBL8538008 0.78 CTSV (0.63) ALDH1A1MEN1KMT2AKIF11CTSV
SCHEMBL8535774 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACTSVCTSL
SCHEMBL8537802 0.76 KDM4E (0.44) ALDH1A1MEN1KMT2ACTSVCTSL
SCHEMBL8531701 0.74 ALDH1A1 (0.57) IMPDH2ALDH1A1MEN1KMT2ACTSV
SCHEMBL20983235 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACTSVCTSL
SCHEMBL26847003 0.70 HPGD (0.68) ALDH1A1MEN1KMT2AKIF11CTSV
SCHEMBL10275605 0.70 IMPDH2 (0.49) IMPDH2ALDH1A1MEN1KMT2AKIF11
SCHEMBL2056171 0.69 ALDH1A1 (0.59) MAP4K1ALDH1A1MEN1KMT2ATRPV4
SCHEMBL28977195 0.68 MELK (0.69) MAP4K1ALDH1A1TRPV4MAPT

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 2 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