SCHEMBL9100183

SCHEMBL9100183

O=c1c(Cl)c(O)ccn1C1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 3/20 0.40
ESR1 P03372 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSP90AA1 P07900 4/20 0.34
GLA P06280 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APEX1 P27695 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
SCHEMBL9669271 0.74 KMT2A (0.41) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL10862992 0.73 KMT2A (0.42) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL9101423 0.73 KMT2A (0.42) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL9099722 0.73 KMT2A (0.48) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL9098986 0.71 ALDH1A1 (0.43) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL21258644 0.70 KMT2A (0.45) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL1365401 0.70 ALDH1A1 (0.46) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL4044632 0.69 KMT2A (0.44) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL14143399 0.68 ALDH1A1 (0.56) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL6567692 0.68 ALDH1A1 (0.56) KMT2AMEN1HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed