SCHEMBL9669271

SCHEMBL9669271

O=C(Oc1ccn(C2CCCO2)c(=O)c1Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
STAT3 P40763 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9100183 0.74 KMT2A (0.46) KMT2AALDH1A1CYP2C9MEN1HPGD
SCHEMBL6443175 0.66 MAPT (0.35) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10863451 0.64 HNF4A (0.35) KMT2AALDH1A1STAT3CYP1A2CYP2C9
SCHEMBL11100192 0.64 HDAC1 (0.53) KMT2AALDH1A1HPGDMAPTPOLB
SCHEMBL9101423 0.63 KMT2A (0.42) KMT2AALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL21258644 0.63 KMT2A (0.45) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL11061705 0.63 SLC18A3 (0.48) KMT2AMEN1HPGDGAA
SCHEMBL23394177 0.62 HPGD (0.57) ALDH1A1HPGDPOLB
SCHEMBL3598235 0.62 HPGD (0.57) ALDH1A1HPGDPOLB
SCHEMBL26025586 0.62 HPGD (0.57) ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US claimed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP claimed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed