SCHEMBL15747680

SCHEMBL15747680

CNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 12/20 0.72
MAPK1 P28482 2/20 0.46
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
DHODH Q02127 1/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40

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
SCHEMBL15741358 0.88 BMI1 (0.70) BMI1MAPK1HTTNPC1TSHR
SCHEMBL15747601 0.86 BMI1 (0.64) BMI1HTTNPC1TSHRRAB9A
SCHEMBL15741354 0.84 BMI1 (0.72) BMI1MAPK1HTTNPC1TSHR
SCHEMBL15747602 0.84 BMI1 (0.62) BMI1HTTNPC1TSHRRAB9A
SCHEMBL16748515 0.83 BMI1 (1.00) BMI1
SCHEMBL16739757 0.81 BMI1 (0.61) BMI1MAPK1HTTNPC1TSHR
SCHEMBL16740088 0.81 BMI1 (0.60) BMI1MAPK1HTTNPC1TSHR
SCHEMBL22186562 0.80 BMI1 (0.59) BMI1MAPK1HTTNPC1TSHR
SCHEMBL16739733 0.80 BMI1 (0.65) BMI1MAPK1HTTTSHRDHODH
SCHEMBL16747902 0.79 BMI1 (0.58) BMI1HTTNPC1TSHRRAB9A

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-2014081906-A2 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2014-05-30 WO disclosed