SCHEMBL9559486

SCHEMBL9559486

COC(=O)c1nc(N(C)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BRD4 O60885 1/20 0.40
RNASEH1 O60930 1/20 0.40
CASR P41180 1/20 0.40
APP P05067 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 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
SCHEMBL7844324 0.89 HPGD (0.45) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8322358 0.80 ALDH1A1 (0.46) HPGDALDH1A1KDM4ECRHBPCRHR2
SCHEMBL4699590 0.80 HPGD (0.51) KMT2AHPGDLMNASMPD1HDAC1
SCHEMBL4703419 0.79 SMPD1 (0.48) MEN1KMT2AHPGDKDM4ELMNA
SCHEMBL30497608 0.79 SMPD1 (0.48) HPGDKDM4ELMNASMPD1HDAC1
SCHEMBL595556 0.79 SMPD1 (0.48) HPGDKDM4ELMNASMPD1HDAC1
SCHEMBL7845570 0.79 GAA (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL7846608 0.78 L3MBTL1 (0.46) HPGDALDH1A1KDM4ELMNASMPD1
SCHEMBL7846688 0.77 HTR1A (0.49) HPGDKDM4ELMNASMPD1HDAC1
SCHEMBL7843936 0.76 MRGPRX4 (0.45) HPGDALDH1A1KDM4ECRHBPCRHR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5255255-A None JP disclosed
JP-H05255255-A 6-N-SUBSTITUTED AMINOPICOLINIC ACID DERIVATIVE AND ITS PRODUCTION KUMIAI CHEM IND CO LTD 1993-10-05 JP disclosed