SCHEMBL7255178

SCHEMBL7255178

COC(=O)c1ccc(-c2ccc(NC(C)c3nc4ccccc4[nH]3)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
MYC P01106 1/20 0.43
PIN1 Q13526 1/20 0.39
HPSE Q9Y251 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL7258618 0.77 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9AMEN1TSHR
SCHEMBL30729287 0.74 POLB (0.53) ALDH1A1KMT2ATSHRL3MBTL1MAPT
SCHEMBL4913727 0.71 L3MBTL1 (0.48) ALDH1A1KMT2ARAB9AMEN1TSHR
SCHEMBL7038689 0.70 KDM4E (0.75) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7259626 0.69 ALDH1A1 (0.43) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL3059132 0.69 ALDH1A1 (0.62) ALDH1A1KMT2ARAB9AMEN1KDM4E
SCHEMBL2937870 0.67 TSHR (0.63) ALDH1A1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL19512864 0.67 TSHR (0.63) ALDH1A1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL17821433 0.67 MYC (0.77) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7255171 0.67 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2

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
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed