SCHEMBL10452002

SCHEMBL10452002

COC(=O)CC(c1ccc(OC)cc1)C(C#N)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
SLC6A9 P48067 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
FFAR1 O14842 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL10452125 0.89 FFAR1 (0.54) KMT2ALMNAGAAHTTMEN1
SCHEMBL10451992 0.87 ALDH1A1 (0.49) KMT2ALMNAGAAHTTMEN1
SCHEMBL10451128 0.83 KMT2A (0.46) KMT2ALMNAGAAHTTMEN1
SCHEMBL10451133 0.83 KMT2A (0.49) KMT2ALMNAGAAHTTMEN1
SCHEMBL10179678 0.81 ALDH1A1 (0.42) KMT2ALMNAGAAHTTMEN1
SCHEMBL10181046 0.81 ALDH1A1 (0.42) KMT2ALMNAGAAHTTMEN1
SCHEMBL10179626 0.81 ALDH1A1 (0.42) KMT2ALMNAGAAHTTMEN1
SCHEMBL10452409 0.80 KMT2A (0.44) KMT2ALMNAHTTMEN1CYP1A2
SCHEMBL10695903 0.80 KCNA5 (0.53) KMT2AHTTHPGDALDH1A1ESR1
SCHEMBL2042006 0.79 ALDH1A1 (0.42) KMT2ALMNAGAAHTTMEN1

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-4898609-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1990-02-06 US claimed