SCHEMBL10737985

SCHEMBL10737985

CC(C(O)C(C)(C)CF)n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HSP90AA1 P07900 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.37
CYP19A1 P11511 7/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.32
CYP26A1 O43174 1/20 0.30

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
SCHEMBL11389088 0.80 KMT2A (0.50) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL11170072 0.80 KMT2A (0.40) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL10744737 0.75 MEN1 (0.59) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL9391100 0.75 KMT2A (0.47) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL9823847 0.75 KMT2A (0.50) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL10745366 0.74 MEN1 (0.39) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL6947959 0.73 MEN1 (0.46) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL10742990 0.73 MEN1 (0.38) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL10734466 0.73 KMT2A (0.78) KMT2AMEN1HSP90AA1POLBTDP1
SCHEMBL11163372 0.72 POLB (0.76) KMT2AMEN1HSP90AA1POLBTDP1

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
US-4715887-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-29 US disclosed
EP-0032200-B1 SUBSTITUTED TRIAZOLYLMETHYL-TERT.-BUTYL-CARBINOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS AS WELL AS INTERMEDIATES BAYER AG (DE) 1983-07-13 EP disclosed