SCHEMBL28249171

SCHEMBL28249171

Cc1ccc2c(c1)C(C)(C)C(C)N2CCCCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4A O75164 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 4/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
ALDH1A1 P00352 2/20 0.34
KMO O15229 1/20 0.34
AKR1B1 P15121 1/20 0.34
LMNA P02545 1/20 0.34
PTGER4 P35408 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL14854426 0.87 MDM2 (0.39) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL3418485 0.87 PTGDR2 (0.44) KMT2AMEN1MAPTSMN1; SMN2KDM4A
Bromide SCHEMBL5458775 0.86 PTGS1 (0.39) KMT2AMEN1MAPTSMN1; SMN2KDM4A
Bromide SCHEMBL14843908 0.86 MDM2 (0.39) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL23724052 0.84 APEX1 (0.36) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL28395116 0.84 SMN1; SMN2 (0.36) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL1065475 0.84 APEX1 (0.36) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL25230632 0.84 GAA (0.41) MAPTGAAPTGS1PTGS2PTGER4
Bromide SCHEMBL861823 0.83 APEX1 (0.35) KMT2AMEN1MAPTSMN1; SMN2KDM4A
SCHEMBL1067864 0.83 APEX1 (0.35) KMT2AMEN1MAPTSMN1; SMN2KDM4A

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
CN-108752319-A Monoamine oxidase A inhibitor indoles cyanines coupling compound and its preparation method and application 沈阳药科大学 2018-11-06 CN disclosed