SCHEMBL26046795

SCHEMBL26046795

Cc1ccc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c1F

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.82
MAP2K2 P36507 2/20 0.82
PIM1 P11309 1/20 0.68
CAMK2B Q13554 1/20 0.68
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAP2K5 Q13163 1/20 0.64
EIF2AK1 Q9BQI3 1/20 0.64
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62

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
SCHEMBL4858053 0.90 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BCYP3A4
SCHEMBL29482205 0.90 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BCYP3A4
SCHEMBL4861033 0.88 MAP2K1 (0.82) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL7051381 0.87 MAP2K1 (0.96) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL13667024 0.86 MAP2K1 (0.84) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL4863091 0.86 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL23851484 0.85 MAP2K1 (0.78) MAP2K1MAP2K2PIM1CAMK2BCYP3A4
SCHEMBL24195833 0.85 MEN1 (0.73) MAP2K1MAP2K2PIM1CAMK2BMAP2K5
SCHEMBL1563122 0.84 MAP2K1 (0.82) MAP2K1MAP2K2
SCHEMBL4861666 0.84 MAP2K1 (1.00) MAP2K1MAP2K2PIM1CAMK2BMAP2K5

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
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP disclosed