SCHEMBL9100773

SCHEMBL9100773

O=c1c[c]c(Br)cn1C1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP2C19 P33261 1/20 0.34
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
PI4KA P42356 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
SCHEMBL9099008 0.83 ALDH1A1 (0.44) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9099572 0.82 ALDH1A1 (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9100565 0.82 LMNA (0.50) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9099532 0.73 KMT2A (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL22655315 0.71 ALDH1A1 (0.48) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9101081 0.67 KMT2A (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9841253 0.67 KMT2A (1.00) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9098986 0.66 ALDH1A1 (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL9098919 0.66 KMT2A (0.43) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL15132784 0.65 KMT2A (0.48) ALDH1A1KMT2APOLBSMN1; SMN2LMNA

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