SCHEMBL20192104

SCHEMBL20192104

CCCc1ccc2c(c1)C(=O)c1c(NC(=O)OC(C)(C)C)ccc(N)c1C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MMP14 P50281 1/20 0.42
KMT2A Q03164 1/20 0.42
AAK1 Q2M2I8 6/20 0.40
P2RY4 P51582 1/20 0.37
METAP2 P50579 1/20 0.37
MAOA P21397 1/20 0.36
KCNQ4 P56696 3/20 0.36
KCNQ5 Q9NR82 3/20 0.36
CNR2 P34972 1/20 0.36
CA2 P00918 1/20 0.35
TERT O14746 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
PTPRC P08575 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL21031798 0.81 AAK1 (0.47) AAK1KCNQ4KCNQ5CNR2MAPKAPK2
SCHEMBL18623980 0.81 MEN1 (0.61) MEN1MMP14KMT2AMAOATERT
SCHEMBL5869497 0.74 CNR2 (0.44) AAK1KCNQ4KCNQ5CNR2
SCHEMBL28159201 0.71 KCNQ4 (0.42) AAK1KCNQ4KCNQ5
SCHEMBL17369611 0.69 KCNQ4 (0.48) AAK1KCNQ4KCNQ5
SCHEMBL7344988 0.69 AAK1 (0.47) AAK1KCNQ4KCNQ5
SCHEMBL27915724 0.69 AAK1 (0.46) AAK1KCNQ4KCNQ5
SCHEMBL23093142 0.69 SMN1; SMN2 (0.47) MEN1KMT2AKCNQ4KCNQ5CNR2
SCHEMBL19930251 0.69 PPARA (0.44) KCNQ4KCNQ5CNR2
SCHEMBL23093133 0.69 CNR2 (0.43) METAP2KCNQ4KCNQ5CNR2

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-9980936-B2 BH4 antagonists and methods related thereto EMORY UNIVERSITY (US) 2018-05-29 US disclosed