SCHEMBL9101067

SCHEMBL9101067

CCCCCNc1cccc([C]=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
F2R P25116 2/20 0.43
KCNH3 Q9ULD8 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 6/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ADRA2A P08913 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CNR1 P21554 2/20 0.38
EPHX2 P34913 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
SCHEMBL7285403 0.98 ABL1 (0.47) ABL1F2RKCNH3MAPTHTT
SCHEMBL7279003 0.95 F2R (0.47) ABL1F2RKCNH3MAPTHTT
SCHEMBL5540239 0.88 MAPT (0.44) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL28133362 0.84 ABL1 (0.44) ABL1KCNH3MAPTALDH1A1
SCHEMBL3476587 0.83 ABL1 (0.47) ABL1KCNH3MAPTALDH1A1CNR1
SCHEMBL3662823 0.82 ABL1 (0.54) ABL1F2RKCNH3MAPTHTT
SCHEMBL5538032 0.81 MAPT (0.38) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL5543090 0.80 ABL1 (0.45) ABL1KCNH3MAPTCYP1A2CYP3A4
SCHEMBL14155105 0.79 TLR8 (0.47) F2RMAPTHTTCYP1A2CYP3A4
SCHEMBL11074894 0.78 ABL1 (0.47) ABL1KCNH3HTTCYP1A2EPHX1

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 11 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
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
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP 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-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed