SCHEMBL9101423

SCHEMBL9101423

O=c1c(Cl)[c]ccn1C1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
YTHDC1 Q96MU7 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 0.34

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
SCHEMBL10862992 1.00 KMT2A (0.42) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9101081 0.74 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9100183 0.73 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9099008 0.72 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9099532 0.71 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL21258644 0.69 KMT2A (0.45) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9100565 0.68 LMNA (0.50) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL9098919 0.67 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL15132784 0.66 KMT2A (0.48) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL21258643 0.65 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAPOLB

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 10 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
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 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-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed