SCHEMBL7285403

SCHEMBL7285403

CCCCCCNc1cccc([C]=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
EPHX1 P07099 6/20 0.43
F2R P25116 2/20 0.42
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNH3 Q9ULD8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.39
ADRA2A P08913 1/20 0.38
GPR84 Q9NQS5 4/20 0.38

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
SCHEMBL9101067 0.98 ABL1 (0.44) ABL1EPHX1F2RHDAC11HDAC8
SCHEMBL7279003 0.94 F2R (0.47) ABL1EPHX1F2RHTTALDH1A1
SCHEMBL5540239 0.87 MAPT (0.44) F2RHTTALDH1A1CYP1A2CYP3A4
SCHEMBL3476587 0.84 ABL1 (0.47) ABL1ALDH1A1KCNH3MAPTCNR1
SCHEMBL28133362 0.83 ABL1 (0.44) ABL1ALDH1A1KCNH3MAPT
SCHEMBL3662823 0.81 ABL1 (0.54) ABL1EPHX1F2RHDAC11HDAC8
SCHEMBL11562950 0.80 ABL1 (0.47) ABL1EPHX1HTTALDH1A1KCNH3
SCHEMBL11558998 0.80 ABL1 (0.47) ABL1EPHX1HTTALDH1A1KCNH3
SCHEMBL11561223 0.80 ABL1 (0.47) ABL1EPHX1HTTALDH1A1KCNH3
SCHEMBL11074894 0.80 ABL1 (0.47) ABL1EPHX1HTTALDH1A1KCNH3

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
US-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5464833-A Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-11-07 US disclosed
EP-0623598-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-11-09 EP disclosed
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed