SCHEMBL16472602

SCHEMBL16472602

CNSNc1cccc(Cc2c(C)c3ccc(OCCF)cc3oc2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.56
RAF1 P04049 4/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A2 O94788 1/20 0.49
ALDH1B1 P30837 1/20 0.49
ALDH1A3 P47895 1/20 0.49
MAOB P27338 1/20 0.48
STS P08842 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL16472605 0.90 MAP2K1 (0.55) MAP2K1RAF1CYP3A4CYP2C9ALDH1A1
SCHEMBL963222 0.85 MAP2K1 (0.74) MAP2K1RAF1CYP3A4CYP2C9ALDH1A1
SCHEMBL13391325 0.84 MAP2K1 (0.62) MAP2K1RAF1CYP3A4CYP2C9ALDH1A1
SCHEMBL959739 0.84 MAP2K1 (0.61) MAP2K1RAF1CYP3A4CYP2C9ALDH1A1
SCHEMBL960396 0.84 MAP2K1 (0.67) MAP2K1RAF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL958661 0.80 MAP2K1 (0.69) MAP2K1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL16472616 0.76 MAP2K1 (0.58) MAP2K1RAF1
SCHEMBL29288172 0.72 BRAF (0.68) MAP2K1ALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL958744 0.71 MAP2K1 (0.61) MAP2K1RAF1CYP3A4CYP2C9ALDH1A1
SCHEMBL960653 0.71 MAP2K1 (1.00) MAP2K1RAF1CYP3A4CYP2C9

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
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed