SCHEMBL9099008

SCHEMBL9099008

O=c1c[c]c(Cl)cn1C1CCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
ESR1 P03372 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.41
MEN1 O00255 3/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
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
BLM P54132 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
SCHEMBL9099572 0.83 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9100565 0.83 LMNA (0.50) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9100773 0.83 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9099532 0.74 KMT2A (0.43) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9098986 0.73 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9101423 0.72 KMT2A (0.42) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL10862992 0.72 KMT2A (0.42) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9098210 0.72 MAP4K1 (0.37) P2RX7IL1B
SCHEMBL9101434 0.69 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAPOLBESR1
SCHEMBL9101081 0.68 KMT2A (0.43) ALDH1A1KMT2ALMNAPOLBESR1

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 9 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