SCHEMBL7259659

SCHEMBL7259659

COC(=O)c1ccc(-c2ccc(NC(c3cnc[nH]3)C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
CYP1A2 P05177 2/20 0.35
KMT2A Q03164 2/20 0.35
CPA1 P15085 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4B Q07343 2/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE7B Q9NP56 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL7260755 0.82 ALDH1A1 (0.46) ALDH1A1NPSR1
SCHEMBL7260923 0.77 KDM4E (0.38) CYP1A2KMT2ACPA1MEN1CYP2C9
SCHEMBL7255971 0.75 NR1H4 (0.32) HPGDCYP1A2KMT2AMEN1POLB
SCHEMBL7258559 0.73 KMT2A (0.40) KMT2AMEN1POLBPDE4BPDE4D
SCHEMBL3059132 0.69 ALDH1A1 (0.62) HPGDCYP1A2KMT2AMEN1POLB
SCHEMBL7258691 0.67 ALDH1A1 (0.39) HPGDKMT2ACPA1MEN1POLB
SCHEMBL7255066 0.65 ALDH1A1 (0.36) HPGDCPA1ALDH1A1RAB9ANPC1
SCHEMBL7255178 0.65 ALDH1A1 (0.48) HPGDKMT2AMEN1KDM4EALDH1A1
SCHEMBL24339594 0.64 ALDH1A1 (0.56) HPGDKMT2AMEN1POLBGAA
SCHEMBL29610955 0.64 PTPN1 (0.71) HPGDCYP1A2KMT2AMEN1POLB

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